1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane

C59H73Cl2N7O7 — CID 160823451

About 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane

1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane (PubChem CID 160823451) has the molecular formula C59H73Cl2N7O7 and a molecular weight of 1063.18 g/mol. Its IUPAC name is 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane.

Molecular Properties

• Compound Name: 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane
• PubChem CID: 160823451
• Molecular Formula: C59H73Cl2N7O7
• Molecular Weight: 1063.18 g/mol
• Exact Mass: 1061.49
• IUPAC Name: 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane
• SMILES: C.CC(C)CC(C(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2N(C)C1=O)C1(C(=O)O)CCCCC1.CC(C)CC(C(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2N(C)C1=O)C1(C(N)=O)CCCCC1
• InChI: InChI=1S/C29H35ClN4O3.C29H34ClN3O4.CH4/c1-18(2)17-22(29(28(31)37)15-7-4-8-16-29)26(35)33-25-27(36)34(3)23-10-6-5-9-21(23)24(32-25)19-11-13-20(30)14-12-19;1-18(2)17-22(29(28(36)37)15-7-4-8-16-29)26(34)32-25-27(35)33(3)23-10-6-5-9-21(23)24(31-25)19-11-13-20(30)14-12-19;/h5-6,9-14,18,22,25H,4,7-8,15-17H2,1-3H3,(H2,31,37)(H,33,35);5-6,9-14,18,22,25H,4,7-8,15-17H2,1-3H3,(H,32,34)(H,36,37);1H4
• InChIKey: SFVPICABIKBMBK-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 203.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1063.18
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane?

The IUPAC name of 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane (CID 160823451) is 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane.

What is the SMILES notation for 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane?

The canonical SMILES for 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane is C.CC(C)CC(C(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2N(C)C1=O)C1(C(=O)O)CCCCC1.CC(C)CC(C(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2N(C)C1=O)C1(C(N)=O)CCCCC1.

What is the InChIKey of 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane?

The InChIKey is SFVPICABIKBMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O3.C29H34ClN3O4.CH4/c1-18(2)17-22(29(28(31)37)15-7-4-8-16-29)26(35)33-25-27(36)34(3)23-10-6-5-9-21(23)24(32-25)19-11-13-20(30)14-12-19;1-18(2)17-22(29(28(36)37)15-7-4-8-16-29)26(34)32-25-27(35)33(3)23-10-6-5-9-21(23)24(31-25)19-11-13-20(30)14-12-19;/h5-6,9-14,18,22,25H,4,7-8,15-17H2,1-3H3,(H2,31,37)(H,33,35);5-6,9-14,18,22,25H,4,7-8,15-17H2,1-3H3,(H,32,34)(H,36,37);1H4.

What are the key properties of 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane?

1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane has a molecular weight of 1063.18 g/mol, XLogP of 10.62, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide;1-[1-[[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxylic acid;methane is sourced from PubChem (CID 160823451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).