N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide

C153H147ClF18N40O19 — CID 157202871

About N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide

N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide (PubChem CID 157202871) has the molecular formula C153H147ClF18N40O19 and a molecular weight of 3227.54 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide
• PubChem CID: 157202871
• Molecular Formula: C153H147ClF18N40O19
• Molecular Weight: 3227.54 g/mol
• Exact Mass: 3225.12
• IUPAC Name: N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide
• SMILES: CCC(CC)N(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1cccc(C)c1.COc1cc(C)cc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c1.Cc1cc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)ccc1Cl.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c(C)c1.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c(C)c1.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c(F)c1.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c(F)c1.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C2CCCCC2)cc1C(=O)O
• InChI: InChI=1S/C22H21F2N5O4.C20H21F2N5O2.C19H19F2N5O3.2C19H19F2N5O2.C18H16ClF2N5O2.2C18H16F3N5O2/c1-13-10-11-15(12-16(13)20(30)31)27(14-6-3-2-4-7-14)21(32)29-22(33)28(25-26-29)19-17(23)8-5-9-18(19)24;1-4-14(5-2)25(15-9-6-8-13(3)12-15)19(28)27-20(29)26(23-24-27)18-16(21)10-7-11-17(18)22;1-11(2)24(13-8-12(3)9-14(10-13)29-4)18(27)26-19(28)25(22-23-26)17-15(20)6-5-7-16(17)21;2*1-11(2)24(16-9-8-12(3)10-13(16)4)18(27)26-19(28)25(22-23-26)17-14(20)6-5-7-15(17)21;1-10(2)24(12-7-8-13(19)11(3)9-12)17(27)26-18(28)25(22-23-26)16-14(20)5-4-6-15(16)21;2*1-10(2)24(15-8-7-11(3)9-14(15)21)17(27)26-18(28)25(22-23-26)16-12(19)5-4-6-13(16)20/h5,8-12,14H,2-4,6-7H2,1H3,(H,30,31);6-12,14H,4-5H2,1-3H3;5-11H,1-4H3;2*5-11H,1-4H3;3*4-10H,1-3H3
• InChIKey: AQZUBQQTINGRGA-UHFFFAOYSA-N
• XLogP: 26.15
• TPSA: 630.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 50
• Rotatable Bonds: 28
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3227.54
LogP ≤ 5	26.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide?

The IUPAC name of N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide (CID 157202871) is N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide.

What is the SMILES notation for N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide?

The canonical SMILES for N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide is CCC(CC)N(C(=O)n1nnn(-c2c(F)cccc2F)c1=O)c1cccc(C)c1.COc1cc(C)cc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c1.Cc1cc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)ccc1Cl.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c(C)c1.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c(C)c1.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c(F)c1.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C(C)C)c(F)c1.Cc1ccc(N(C(=O)n2nnn(-c3c(F)cccc3F)c2=O)C2CCCCC2)cc1C(=O)O.

What is the InChIKey of N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide?

The InChIKey is AQZUBQQTINGRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O4.C20H21F2N5O2.C19H19F2N5O3.2C19H19F2N5O2.C18H16ClF2N5O2.2C18H16F3N5O2/c1-13-10-11-15(12-16(13)20(30)31)27(14-6-3-2-4-7-14)21(32)29-22(33)28(25-26-29)19-17(23)8-5-9-18(19)24;1-4-14(5-2)25(15-9-6-8-13(3)12-15)19(28)27-20(29)26(23-24-27)18-16(21)10-7-11-17(18)22;1-11(2)24(13-8-12(3)9-14(10-13)29-4)18(27)26-19(28)25(22-23-26)17-15(20)6-5-7-16(17)21;2*1-11(2)24(16-9-8-12(3)10-13(16)4)18(27)26-19(28)25(22-23-26)17-14(20)6-5-7-15(17)21;1-10(2)24(12-7-8-13(19)11(3)9-12)17(27)26-18(28)25(22-23-26)16-14(20)5-4-6-15(16)21;2*1-10(2)24(15-8-7-11(3)9-14(15)21)17(27)26-18(28)25(22-23-26)16-12(19)5-4-6-13(16)20/h5,8-12,14H,2-4,6-7H2,1H3,(H,30,31);6-12,14H,4-5H2,1-3H3;5-11H,1-4H3;2*5-11H,1-4H3;3*4-10H,1-3H3.

What are the key properties of N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide?

N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide has a molecular weight of 3227.54 g/mol, XLogP of 26.15, 28 rotatable bonds, 1 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-3-methylphenyl)-4-(2,6-difluorophenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;5-[cyclohexyl-[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]amino]-2-methylbenzoic acid;bis(4-(2,6-difluorophenyl)-N-(2,4-dimethylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);bis(4-(2,6-difluorophenyl)-N-(2-fluoro-4-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide);4-(2,6-difluorophenyl)-N-(3-methoxy-5-methylphenyl)-5-oxo-N-propan-2-yltetrazole-1-carboxamide;4-(2,6-difluorophenyl)-N-(3-methylphenyl)-5-oxo-N-pentan-3-yltetrazole-1-carboxamide is sourced from PubChem (CID 157202871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).