2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine

C254H335Cl4F14N21O15 — CID 160934690

IUPAC2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC=Cc1cc(C(C)C)ccc1F.C=Cc1ccc(C(C)C)cc1.C=Cc1ccc(C(C)C)cc1F.CC(C)c1ccc(C(=O)N2CCCC2)c(F)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)c(C(N)=O)c1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N)c(Cl)c1.CC(C)c1ccc(N)c(OC(F)(F)F)c1.CC(C)c1cccc(CO)n1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccccc1F.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccncc1CO.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CCC(=O)c1ccc(C(C)C)cc1Cl.CNC(=O)c1cc(C(C)C)ccc1Cl.CNC(=O)c1cc(F)cc(C(C)C)c1.COC(=O)c1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1N.COc1ccc(C(C)C)c(CO)n1.COc1cncc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C14H18FNO.C12H15ClO.C11H14ClNO.C11H14FNO.2C11H13F.C11H17N.C11H14O2.C11H14.C10H12ClNO.C10H12F3NO.C10H15NO2.C10H15NO.C9H12ClN.C9H10F3N.C9H11F.4C9H13NO.C9H13N.3C8H10FN.C8H11N.C7H10N2/c1-10(2)11-5-6-12(13(15)9-11)14(17)16-7-3-4-8-16;1-4-12(14)10-6-5-9(8(2)3)7-11(10)13;1-7(2)8-4-5-10(12)9(6-8)11(14)13-3;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-9-7-10(8(2)3)5-6-11(9)12;1-4-9-5-6-10(8(2)3)7-11(9)12;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-4-10-5-7-11(8-6-10)9(2)3;1-6(2)7-3-4-9(11)8(5-7)10(12)13;1-6(2)7-3-4-8(14)9(5-7)15-10(11,12)13;1-7(2)8-4-5-10(13-3)11-9(8)6-12;1-7(2)8-4-5-9(11)10(6-8)12-3;1-6(2)7-3-4-9(11)8(10)5-7;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;2*1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)9-3-4-10-5-8(9)6-11;1-7(2)9-5-3-4-8(6-11)10-9;1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7/h5-6,9-10H,3-4,7-8H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3,(H,13,14);2*4-8H,1H2,2-3H3;5-9H,1-4H3;4-8H,1-3H3;4-9H,1H2,2-3H3;3-6H,1-2H3,(H2,12,13);3-6H,14H2,1-2H3;4-5,7,12H,6H2,1-3H3;4-7H,11H2,1-3H3;3-6H,11H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;2*3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeySTSKZAWKKQRNSJ-UHFFFAOYSA-N
MW4330.39 g/mol
LogP68.83
Rot. Bonds45

About 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine

2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine (PubChem CID 160934690) has the molecular formula C254H335Cl4F14N21O15 and a molecular weight of 4330.39 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine
PubChem CID160934690
Molecular FormulaC254H335Cl4F14N21O15
Molecular Weight4330.39 g/mol
Exact Mass4325.46
IUPAC Name2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine
SMILESC=Cc1cc(C(C)C)ccc1F.C=Cc1ccc(C(C)C)cc1.C=Cc1ccc(C(C)C)cc1F.CC(C)c1ccc(C(=O)N2CCCC2)c(F)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)c(C(N)=O)c1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N)c(Cl)c1.CC(C)c1ccc(N)c(OC(F)(F)F)c1.CC(C)c1cccc(CO)n1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccccc1F.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccncc1CO.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CCC(=O)c1ccc(C(C)C)cc1Cl.CNC(=O)c1cc(C(C)C)ccc1Cl.CNC(=O)c1cc(F)cc(C(C)C)c1.COC(=O)c1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1N.COc1ccc(C(C)C)c(CO)n1.COc1cncc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1
InChIInChI=1S/C14H18FNO.C12H15ClO.C11H14ClNO.C11H14FNO.2C11H13F.C11H17N.C11H14O2.C11H14.C10H12ClNO.C10H12F3NO.C10H15NO2.C10H15NO.C9H12ClN.C9H10F3N.C9H11F.4C9H13NO.C9H13N.3C8H10FN.C8H11N.C7H10N2/c1-10(2)11-5-6-12(13(15)9-11)14(17)16-7-3-4-8-16;1-4-12(14)10-6-5-9(8(2)3)7-11(10)13;1-7(2)8-4-5-10(12)9(6-8)11(14)13-3;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-9-7-10(8(2)3)5-6-11(9)12;1-4-9-5-6-10(8(2)3)7-11(9)12;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-4-10-5-7-11(8-6-10)9(2)3;1-6(2)7-3-4-9(11)8(5-7)10(12)13;1-6(2)7-3-4-8(14)9(5-7)15-10(11,12)13;1-7(2)8-4-5-10(13-3)11-9(8)6-12;1-7(2)8-4-5-9(11)10(6-8)12-3;1-6(2)7-3-4-9(11)8(10)5-7;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;2*1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)9-3-4-10-5-8(9)6-11;1-7(2)9-5-3-4-8(6-11)10-9;1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7/h5-6,9-10H,3-4,7-8H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3,(H,13,14);2*4-8H,1H2,2-3H3;5-9H,1-4H3;4-8H,1-3H3;4-9H,1H2,2-3H3;3-6H,1-2H3,(H2,12,13);3-6H,14H2,1-2H3;4-5,7,12H,6H2,1-3H3;4-7H,11H2,1-3H3;3-6H,11H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;2*3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeySTSKZAWKKQRNSJ-UHFFFAOYSA-N
XLogP68.83
TPSA520.68 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds45
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004330.39
LogP ≤ 568.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

bis(1-chloro-2-methyl-4-propan-2-ylbenzene);1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,3-dimethyl-5-propan-2-ylbenzamide;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-5-propan-2-ylpyridine;methane;(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;tris(2-methyl-4-propan-2-ylaniline);1-methyl-3-propan-2-ylbenzene;tetrakis(2-methyl-4-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyridine;tris(3-methyl-5-propan-2-ylpyridine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157770357
1-chloro-4-propan-2-ylbenzene;1-(1,1-difluoroethoxy)-4-propan-2-ylbenzene;1-(2,2-difluoroethyl)-4-(4-propan-2-ylphenyl)piperidine;ethyl 3-propan-2-ylbenzoate;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-[4-(2-methoxy-4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one;1-(2-methoxypropan-2-yl)-4-propan-2-ylbenzene;4-(4-methoxy-5-propan-2-yl-2-pyridinyl)morpholine;2-methyl-4-(4-propan-2-ylphenyl)-1-propylpiperazine;6-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;(3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-(5-propan-2-yl-2-pyridinyl)propan-2-ol
CID 158664106
2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;3-methoxy-5-propan-2-ylpyridine;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(6-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethoxy)aniline
CID 159473904

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine (CID 160934690) is 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine is C=Cc1cc(C(C)C)ccc1F.C=Cc1ccc(C(C)C)cc1.C=Cc1ccc(C(C)C)cc1F.CC(C)c1ccc(C(=O)N2CCCC2)c(F)c1.CC(C)c1ccc(C(F)(F)F)nc1.CC(C)c1ccc(Cl)c(C(N)=O)c1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(N)c(Cl)c1.CC(C)c1ccc(N)c(OC(F)(F)F)c1.CC(C)c1cccc(CO)n1.CC(C)c1cccc(N(C)C)c1.CC(C)c1ccccc1F.CC(C)c1ccnc(F)c1.CC(C)c1ccncc1.CC(C)c1ccncc1CO.CC(C)c1cncc(F)c1.CC(C)c1cncnc1.CCC(=O)c1ccc(C(C)C)cc1Cl.CNC(=O)c1cc(C(C)C)ccc1Cl.CNC(=O)c1cc(F)cc(C(C)C)c1.COC(=O)c1cccc(C(C)C)c1.COc1cc(C(C)C)ccc1N.COc1ccc(C(C)C)c(CO)n1.COc1cncc(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine?
The InChIKey is STSKZAWKKQRNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO.C12H15ClO.C11H14ClNO.C11H14FNO.2C11H13F.C11H17N.C11H14O2.C11H14.C10H12ClNO.C10H12F3NO.C10H15NO2.C10H15NO.C9H12ClN.C9H10F3N.C9H11F.4C9H13NO.C9H13N.3C8H10FN.C8H11N.C7H10N2/c1-10(2)11-5-6-12(13(15)9-11)14(17)16-7-3-4-8-16;1-4-12(14)10-6-5-9(8(2)3)7-11(10)13;1-7(2)8-4-5-10(12)9(6-8)11(14)13-3;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-9-7-10(8(2)3)5-6-11(9)12;1-4-9-5-6-10(8(2)3)7-11(9)12;1-9(2)10-6-5-7-11(8-10)12(3)4;1-8(2)9-5-4-6-10(7-9)11(12)13-3;1-4-10-5-7-11(8-6-10)9(2)3;1-6(2)7-3-4-9(11)8(5-7)10(12)13;1-6(2)7-3-4-8(14)9(5-7)15-10(11,12)13;1-7(2)8-4-5-10(13-3)11-9(8)6-12;1-7(2)8-4-5-9(11)10(6-8)12-3;1-6(2)7-3-4-9(11)8(10)5-7;1-6(2)7-3-4-8(13-5-7)9(10,11)12;1-7(2)8-5-3-4-6-9(8)10;2*1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)9-3-4-10-5-8(9)6-11;1-7(2)9-5-3-4-8(6-11)10-9;1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)7-3-4-10-8(9)5-7;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-8-5-9-4-7/h5-6,9-10H,3-4,7-8H2,1-2H3;5-8H,4H2,1-3H3;2*4-7H,1-3H3,(H,13,14);2*4-8H,1H2,2-3H3;5-9H,1-4H3;4-8H,1-3H3;4-9H,1H2,2-3H3;3-6H,1-2H3,(H2,12,13);3-6H,14H2,1-2H3;4-5,7,12H,6H2,1-3H3;4-7H,11H2,1-3H3;3-6H,11H2,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-7H,1-3H3;2*3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine?
2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine has a molecular weight of 4330.39 g/mol, XLogP of 68.83, 45 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-propan-2-ylbenzamide;2-chloro-4-propan-2-ylaniline;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;1-ethenyl-2-fluoro-4-propan-2-ylbenzene;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;2-fluoro-4-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-4-propan-2-ylaniline;bis(3-methoxy-5-propan-2-ylpyridine);(6-methoxy-3-propan-2-yl-2-pyridinyl)methanol;methyl 3-propan-2-ylbenzoate;3-methyl-5-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-3-pyridinyl)methanol;(6-propan-2-yl-2-pyridinyl)methanol;5-propan-2-ylpyrimidine;4-propan-2-yl-2-(trifluoromethoxy)aniline;5-propan-2-yl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160934690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).