6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide

C146H168Cl2F5N19O5S3 — CID 157350464

IUPAC6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cc(Cl)cc2n[nH]nc12.CC(C)c1ccc(-c2cnc[nH]2)cc1.CC(C)c1ccc(Cl)c2[nH]ccc12.CC(C)c1ccc(F)c2[nH]ccc12.CC(C)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1.CC(C)c1cccc2sc(N)nc12.CC(C)c1ccccc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)c2cc[nH]c12
InChIInChI=1S/C17H16F3NO.C17H15FN2OS.C12H14N2.C12H15N.C11H12ClN.C11H12FN.C10H12N2S.C10H12N2.C10H14O.C9H10ClN3.C9H11N3.C9H13NO2S.C9H12/c1-11(2)12-6-8-15(9-7-12)21-16(22)13-4-3-5-14(10-13)17(18,19)20;1-10(2)11-6-7-14-15(9-11)22-17(19-14)20-16(21)12-4-3-5-13(18)8-12;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-8(2)10-5-4-9(3)12-11(10)6-7-13-12;2*1-7(2)8-3-4-10(12)11-9(8)5-6-13-11;1-6(2)7-4-3-5-8-9(7)12-10(11)13-8;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-8(2)9-5-4-6-10(7-9)11-3;1-5(2)7-3-6(10)4-8-9(7)12-13-11-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-8(2)9-6-4-3-5-7-9/h3-11H,1-2H3,(H,21,22);3-10H,1-2H3,(H,19,20,21);3-9H,1-2H3,(H,13,14);4-8,13H,1-3H3;2*3-7,13H,1-2H3;3-6H,1-2H3,(H2,11,12);3-7H,1-2H3,(H,11,12);4-8H,1-3H3;3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,10,11,12);3-7H,1-2H3,(H2,10,11,12);3-8H,1-2H3
InChIKeyBHLUUCPBSCDPBV-UHFFFAOYSA-N
MW2531.17 g/mol
LogP41.66
Rot. Bonds20

About 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide

6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 157350464) has the molecular formula C146H168Cl2F5N19O5S3 and a molecular weight of 2531.17 g/mol. Its IUPAC name is 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID157350464
Molecular FormulaC146H168Cl2F5N19O5S3
Molecular Weight2531.17 g/mol
Exact Mass2528.19
IUPAC Name6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESCC(C)c1[nH]nc2ccccc12.CC(C)c1cc(Cl)cc2n[nH]nc12.CC(C)c1ccc(-c2cnc[nH]2)cc1.CC(C)c1ccc(Cl)c2[nH]ccc12.CC(C)c1ccc(F)c2[nH]ccc12.CC(C)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1.CC(C)c1cccc2sc(N)nc12.CC(C)c1ccccc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)c2cc[nH]c12
InChIInChI=1S/C17H16F3NO.C17H15FN2OS.C12H14N2.C12H15N.C11H12ClN.C11H12FN.C10H12N2S.C10H12N2.C10H14O.C9H10ClN3.C9H11N3.C9H13NO2S.C9H12/c1-11(2)12-6-8-15(9-7-12)21-16(22)13-4-3-5-14(10-13)17(18,19)20;1-10(2)11-6-7-14-15(9-11)22-17(19-14)20-16(21)12-4-3-5-13(18)8-12;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-8(2)10-5-4-9(3)12-11(10)6-7-13-12;2*1-7(2)8-3-4-10(12)11-9(8)5-6-13-11;1-6(2)7-4-3-5-8-9(7)12-10(11)13-8;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-8(2)9-5-4-6-10(7-9)11-3;1-5(2)7-3-6(10)4-8-9(7)12-13-11-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-8(2)9-6-4-3-5-7-9/h3-11H,1-2H3,(H,21,22);3-10H,1-2H3,(H,19,20,21);3-9H,1-2H3,(H,13,14);4-8,13H,1-3H3;2*3-7,13H,1-2H3;3-6H,1-2H3,(H2,11,12);3-7H,1-2H3,(H,11,12);4-8H,1-3H3;3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,10,11,12);3-7H,1-2H3,(H2,10,11,12);3-8H,1-2H3
InChIKeyBHLUUCPBSCDPBV-UHFFFAOYSA-N
XLogP41.66
TPSA367.26 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002531.17
LogP ≤ 541.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Analyze 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-chloro-3-propan-2-ylphenol;N-(4-chloro-3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide;1-(difluoromethyl)-3-propan-2-ylbenzene;2-fluoro-5-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;3-propan-2-ylaniline;3-propan-2-ylbenzenecarboximidamide;4-propan-2-ylbenzene-1,2-diol;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-dihydroindol-2-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;3-propan-2-ylphenol;4-propan-2-ylphenol;(3-propan-2-ylphenyl) benzoate;N-(3-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 161316272
6-chloro-4-propan-2-yl-2H-benzotriazole;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;6-fluoro-4-propan-2-yl-2H-benzotriazole;1-methoxy-3-propan-2-ylbenzene;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-1,3-benzothiazol-2-amine;(NE)-N-(4-propan-2-yl-2,3-dihydroinden-1-ylidene)hydroxylamine;(NZ)-N-(5-propan-2-yl-2,3-dihydroinden-1-ylidene)hydroxylamine;3-propan-2-yl-2H-indazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 172934349
6-chloro-4-propan-2-yl-2H-benzotriazole;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;6-fluoro-4-propan-2-yl-2H-benzotriazole;1-methoxy-3-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-1,3-benzothiazol-2-amine;(NE)-N-(4-propan-2-yl-2,3-dihydroinden-1-ylidene)hydroxylamine;(NZ)-N-(5-propan-2-yl-2,3-dihydroinden-1-ylidene)hydroxylamine;3-propan-2-yl-2H-indazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 172973679

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide (CID 157350464) is 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide is CC(C)c1[nH]nc2ccccc12.CC(C)c1cc(Cl)cc2n[nH]nc12.CC(C)c1ccc(-c2cnc[nH]2)cc1.CC(C)c1ccc(Cl)c2[nH]ccc12.CC(C)c1ccc(F)c2[nH]ccc12.CC(C)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1ccc2n[nH]nc2c1.CC(C)c1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1.CC(C)c1cccc2sc(N)nc12.CC(C)c1ccccc1.COc1cccc(C(C)C)c1.Cc1ccc(C(C)C)c2cc[nH]c12.
What is the InChIKey of 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is BHLUUCPBSCDPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO.C17H15FN2OS.C12H14N2.C12H15N.C11H12ClN.C11H12FN.C10H12N2S.C10H12N2.C10H14O.C9H10ClN3.C9H11N3.C9H13NO2S.C9H12/c1-11(2)12-6-8-15(9-7-12)21-16(22)13-4-3-5-14(10-13)17(18,19)20;1-10(2)11-6-7-14-15(9-11)22-17(19-14)20-16(21)12-4-3-5-13(18)8-12;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-8(2)10-5-4-9(3)12-11(10)6-7-13-12;2*1-7(2)8-3-4-10(12)11-9(8)5-6-13-11;1-6(2)7-4-3-5-8-9(7)12-10(11)13-8;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-8(2)9-5-4-6-10(7-9)11-3;1-5(2)7-3-6(10)4-8-9(7)12-13-11-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-8(2)9-6-4-3-5-7-9/h3-11H,1-2H3,(H,21,22);3-10H,1-2H3,(H,19,20,21);3-9H,1-2H3,(H,13,14);4-8,13H,1-3H3;2*3-7,13H,1-2H3;3-6H,1-2H3,(H2,11,12);3-7H,1-2H3,(H,11,12);4-8H,1-3H3;3-5H,1-2H3,(H,11,12,13);3-6H,1-2H3,(H,10,11,12);3-7H,1-2H3,(H2,10,11,12);3-8H,1-2H3.
What are the key properties of 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide?
6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 2531.17 g/mol, XLogP of 41.66, 20 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-yl-2H-benzotriazole;7-chloro-4-propan-2-yl-1H-indole;cumene;3-fluoro-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide;7-fluoro-4-propan-2-yl-1H-indole;1-methoxy-3-propan-2-ylbenzene;7-methyl-4-propan-2-yl-1H-indole;4-propan-2-ylbenzenesulfonamide;4-propan-2-yl-1,3-benzothiazol-2-amine;5-propan-2-yl-2H-benzotriazole;3-propan-2-yl-2H-indazole;5-(4-propan-2-ylphenyl)-1H-imidazole;N-(4-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157350464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).