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

C59H53Cl4F3N6O10 — CID 160720934

IUPAC4-(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
SMILESO=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
InChIInChI=1S/C22H14Cl2FN3O3.C20H25NO4.C17H14Cl2F2N2O3/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)
InChIKeyRTCAKKMZJCFAIG-UHFFFAOYSA-N
MW1204.91 g/mol
LogP14.49
Rot. Bonds17

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

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 (PubChem CID 160720934) has the molecular formula C59H53Cl4F3N6O10 and a molecular weight of 1204.91 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.

Molecular Properties

Compound Name4-(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
PubChem CID160720934
Molecular FormulaC59H53Cl4F3N6O10
Molecular Weight1204.91 g/mol
Exact Mass1202.25
IUPAC Name4-(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
SMILESO=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
InChIInChI=1S/C22H14Cl2FN3O3.C20H25NO4.C17H14Cl2F2N2O3/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)
InChIKeyRTCAKKMZJCFAIG-UHFFFAOYSA-N
XLogP14.49
TPSA204.79 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001204.91
LogP ≤ 514.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
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 (CID 160720934) 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.
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?
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 is 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?
The InChIKey is RTCAKKMZJCFAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2FN3O3.C20H25NO4.C17H14Cl2F2N2O3/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).
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?
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 has a molecular weight of 1204.91 g/mol, XLogP of 14.49, 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 is sourced from PubChem (CID 160720934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).