4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane

C60H57Cl4F3N6O10 — CID 161084671

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane

4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane (PubChem CID 161084671) has the molecular formula C60H57Cl4F3N6O10 and a molecular weight of 1220.95 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane.

Molecular Properties

• Compound Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane
• PubChem CID: 161084671
• Molecular Formula: C60H57Cl4F3N6O10
• Molecular Weight: 1220.95 g/mol
• Exact Mass: 1218.28
• IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane
• SMILES: C.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12.O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.[C-]#[N+]C1(c2ccc(OC)c(OC3CCCC3)c2)CCC(C(=O)O)CC1
• InChI: InChI=1S/C22H14Cl2FN3O3.C20H25NO4.C17H14Cl2F2N2O3.CH4/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;1-21-20(11-9-14(10-12-20)19(22)23)15-7-8-17(24-2)18(13-15)25-16-5-3-4-6-16;18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9;/h1-9,11,29H,10H2,(H,26,27,31);7-8,13-14,16H,3-6,9-12H2,2H3,(H,22,23);3-7,9,17H,1-2,8H2,(H,22,23,24);1H4
• InChIKey: UGIQTJNDGGPPJE-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 204.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1220.95
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane?

The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane (CID 161084671) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane.

What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane?

The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane is C.O=C(Nc1c(Cl)cncc1Cl)C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12.O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1.[C-]#[N+]C1(c2ccc(OC)c(OC3CCCC3)c2)CCC(C(=O)O)CC1.

What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane?

The InChIKey is UGIQTJNDGGPPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3O3.C20H25NO4.C17H14Cl2F2N2O3.CH4/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19;1-21-20(11-9-14(10-12-20)19(22)23)15-7-8-17(24-2)18(13-15)25-16-5-3-4-6-16;18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9;/h1-9,11,29H,10H2,(H,26,27,31);7-8,13-14,16H,3-6,9-12H2,2H3,(H,22,23);3-7,9,17H,1-2,8H2,(H,22,23,24);1H4.

What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane?

4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane has a molecular weight of 1220.95 g/mol, XLogP of 15.13, 17 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-4-isocyanocyclohexane-1-carboxylic acid;3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide;N-(3,5-dichloro-4-pyridinyl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide;methane is sourced from PubChem (CID 161084671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).