4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole

C183H214Cl2F12N18O15S2 — CID 157084169

IUPAC4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole
SMILESCC(=O)Nc1ccc(C)cc1F.CC(=O)c1ccc(C)cc1F.Cc1ccc(-c2nnc(N)s2)cc1.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H14ClNO.3C11H14FNO.C11H16O.C10H13ClO.C10H13FO.2C10H12N2.C9H9F3.C9H10FNO.C9H9FO.C9H9N3S.C9H10N2.3C9H9NO.C8H7F3O.C8H11NO2S/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;2*1-7(2)11(14)13-10-5-4-8(3)6-9(10)12;1-8(2)12-11-6-5-9(3)7-10(11)4;2*1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-6-3-4-7(2)8(5-6)9(10,11)12;1-6-3-4-9(8(10)5-6)11-7(2)12;1-6-3-4-8(7(2)11)9(10)5-6;1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7(6(9)4-5)12-8(10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h2*2-3,8H,4-7H2,1H3;2*4-7H,1-3H3,(H,13,14);5-8H,1-4H3;2*4-7H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,11,12);3-5H,1-2H3;2-5H,1H3,(H2,10,12);3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);2-4,8H,1H3;3-6,9H,1-2H3
InChIKeyADWZBTVXBBUYFG-UHFFFAOYSA-N
MW3268.85 g/mol
LogP44.79
Rot. Bonds19

About 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole

4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole (PubChem CID 157084169) has the molecular formula C183H214Cl2F12N18O15S2 and a molecular weight of 3268.85 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole
PubChem CID157084169
Molecular FormulaC183H214Cl2F12N18O15S2
Molecular Weight3268.85 g/mol
Exact Mass3265.52
IUPAC Name4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole
SMILESCC(=O)Nc1ccc(C)cc1F.CC(=O)c1ccc(C)cc1F.Cc1ccc(-c2nnc(N)s2)cc1.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C11H14ClNO.3C11H14FNO.C11H16O.C10H13ClO.C10H13FO.2C10H12N2.C9H9F3.C9H10FNO.C9H9FO.C9H9N3S.C9H10N2.3C9H9NO.C8H7F3O.C8H11NO2S/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;2*1-7(2)11(14)13-10-5-4-8(3)6-9(10)12;1-8(2)12-11-6-5-9(3)7-10(11)4;2*1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-6-3-4-7(2)8(5-6)9(10,11)12;1-6-3-4-9(8(10)5-6)11-7(2)12;1-6-3-4-8(7(2)11)9(10)5-6;1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7(6(9)4-5)12-8(10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h2*2-3,8H,4-7H2,1H3;2*4-7H,1-3H3,(H,13,14);5-8H,1-4H3;2*4-7H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,11,12);3-5H,1-2H3;2-5H,1H3,(H2,10,12);3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);2-4,8H,1H3;3-6,9H,1-2H3
InChIKeyADWZBTVXBBUYFG-UHFFFAOYSA-N
XLogP44.79
TPSA412.75 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003268.85
LogP ≤ 544.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole with MolForge

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Related Compounds

4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene
CID 158263531
tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;tert-butyl N-[(5-methylthiophen-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;1-chloro-2-methoxy-4-methylbenzene;1-chloro-4-methoxy-2-methylbenzene;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;1,3-difluoro-2-methoxy-5-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;N-(4-methylphenyl)acetamide;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole
CID 159042967
tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;carbamimidoyl 4-methylbenzenecarboximidothioate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;5-methylfuran-2-carbaldehyde;(3-methylphenyl)-morpholin-4-ylmethanone;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene
CID 159570203
tert-butyl N-[(5-methylfuran-2-yl)methyl]carbamate;4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;N-(2-fluoro-4-methylphenyl)acetamide;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methylfuran-2-carbaldehyde;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;4-[(5-methylthiophen-2-yl)methyl]morpholine;1,3,6-trimethylindazole;2,3,6-trimethylindazole;2,4,5-trimethyl-1,3-thiazole;1,3-xylene
CID 160877200
4-(2-chloro-4-methylphenyl)morpholine;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1-(2-fluoro-4-methylphenyl)ethanone;4-(2-fluoro-4-methylphenyl)morpholine;methane;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;1,2,4-trimethylbenzene
CID 161980384

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole?
The IUPAC name of 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole (CID 157084169) is 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole.
What is the SMILES notation for 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole?
The canonical SMILES for 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole is CC(=O)Nc1ccc(C)cc1F.CC(=O)c1ccc(C)cc1F.Cc1ccc(-c2nnc(N)s2)cc1.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(N2CCOCC2)c(Cl)c1.Cc1ccc(N2CCOCC2)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(NC(=O)C(C)C)c(F)c1.Cc1ccc(OC(C)C)c(C)c1.Cc1ccc(OC(C)C)c(Cl)c1.Cc1ccc(OC(C)C)c(F)c1.Cc1ccc(OC(F)F)c(F)c1.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(C)n(C)nc2c1.Cc1ccc2c(C)nn(C)c2c1.Cc1ccc2c(c1)C(=O)NC2.Cc1ccc2c(c1)CNC2=O.Cc1ccc2nc(C)oc2c1.Cc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole?
The InChIKey is ADWZBTVXBBUYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.3C11H14FNO.C11H16O.C10H13ClO.C10H13FO.2C10H12N2.C9H9F3.C9H10FNO.C9H9FO.C9H9N3S.C9H10N2.3C9H9NO.C8H7F3O.C8H11NO2S/c2*1-9-2-3-11(10(12)8-9)13-4-6-14-7-5-13;2*1-7(2)11(14)13-10-5-4-8(3)6-9(10)12;1-8(2)12-11-6-5-9(3)7-10(11)4;2*1-7(2)12-10-5-4-8(3)6-9(10)11;1-7-4-5-9-8(2)12(3)11-10(9)6-7;1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-6-3-4-7(2)8(5-6)9(10,11)12;1-6-3-4-9(8(10)5-6)11-7(2)12;1-6-3-4-8(7(2)11)9(10)5-6;1-6-2-4-7(5-3-6)8-11-12-9(10)13-8;1-6-3-4-8-7(2)10-11-9(8)5-6;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-2-3-8-7(4-6)5-10-9(8)11;1-6-2-3-7-5-10-9(11)8(7)4-6;1-5-2-3-7(6(9)4-5)12-8(10)11;1-7-4-3-5-8(6-7)9-12(2,10)11/h2*2-3,8H,4-7H2,1H3;2*4-7H,1-3H3,(H,13,14);5-8H,1-4H3;2*4-7H,1-3H3;2*4-6H,1-3H3;3-5H,1-2H3;3-5H,1-2H3,(H,11,12);3-5H,1-2H3;2-5H,1H3,(H2,10,12);3-5H,1-2H3,(H,10,11);3-5H,1-2H3;2*2-4H,5H2,1H3,(H,10,11);2-4,8H,1H3;3-6,9H,1-2H3.
What are the key properties of 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole?
4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole has a molecular weight of 3268.85 g/mol, XLogP of 44.79, 19 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenyl)morpholine;2-chloro-4-methyl-1-propan-2-yloxybenzene;1-(difluoromethoxy)-2-fluoro-4-methylbenzene;2,6-dimethyl-1,3-benzoxazole;3,6-dimethyl-2H-indazole;2,4-dimethyl-1-propan-2-yloxybenzene;1,4-dimethyl-2-(trifluoromethyl)benzene;N-(2-fluoro-4-methylphenyl)acetamide;1-(2-fluoro-4-methylphenyl)ethanone;bis(N-(2-fluoro-4-methylphenyl)-2-methylpropanamide);4-(2-fluoro-4-methylphenyl)morpholine;2-fluoro-4-methyl-1-propan-2-yloxybenzene;5-methyl-2,3-dihydroisoindol-1-one;6-methyl-2,3-dihydroisoindol-1-one;N-(3-methylphenyl)methanesulfonamide;5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine;1,3,6-trimethylindazole;2,3,6-trimethylindazole is sourced from PubChem (CID 157084169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).