N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide

C53H64F4N6O4 — CID 144952073

IUPACN-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide
SMILESC=C1CC(C)CC(CC)(NC(=O)c2cc3ccc(OC)cc3[nH]2)C1.O=C(NC1CCCCCC1)c1cc2c(F)cc(F)cc2[nH]1.O=C(NC1CCCCCCC1)c1cc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C20H26N2O2.C17H20F2N2O.C16H18F2N2O/c1-5-20(11-13(2)8-14(3)12-20)22-19(23)18-9-15-6-7-16(24-4)10-17(15)21-18;18-11-8-14(19)13-10-16(21-15(13)9-11)17(22)20-12-6-4-2-1-3-5-7-12;17-10-7-13(18)12-9-15(20-14(12)8-10)16(21)19-11-5-3-1-2-4-6-11/h6-7,9-10,14,21H,2,5,8,11-12H2,1,3-4H3,(H,22,23);8-10,12,21H,1-7H2,(H,20,22);7-9,11,20H,1-6H2,(H,19,21)
InChIKeyWQBCKCCPWMTTFN-UHFFFAOYSA-N
MW925.12 g/mol
LogP12.62
Rot. Bonds8

About N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide

N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide (PubChem CID 144952073) has the molecular formula C53H64F4N6O4 and a molecular weight of 925.12 g/mol. Its IUPAC name is N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide
PubChem CID144952073
Molecular FormulaC53H64F4N6O4
Molecular Weight925.12 g/mol
Exact Mass924.49
IUPAC NameN-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide
SMILESC=C1CC(C)CC(CC)(NC(=O)c2cc3ccc(OC)cc3[nH]2)C1.O=C(NC1CCCCCC1)c1cc2c(F)cc(F)cc2[nH]1.O=C(NC1CCCCCCC1)c1cc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C20H26N2O2.C17H20F2N2O.C16H18F2N2O/c1-5-20(11-13(2)8-14(3)12-20)22-19(23)18-9-15-6-7-16(24-4)10-17(15)21-18;18-11-8-14(19)13-10-16(21-15(13)9-11)17(22)20-12-6-4-2-1-3-5-7-12;17-10-7-13(18)12-9-15(20-14(12)8-10)16(21)19-11-5-3-1-2-4-6-11/h6-7,9-10,14,21H,2,5,8,11-12H2,1,3-4H3,(H,22,23);8-10,12,21H,1-7H2,(H,20,22);7-9,11,20H,1-6H2,(H,19,21)
InChIKeyWQBCKCCPWMTTFN-UHFFFAOYSA-N
XLogP12.62
TPSA143.90 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500925.12
LogP ≤ 512.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide (CID 144952073) is N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide is C=C1CC(C)CC(CC)(NC(=O)c2cc3ccc(OC)cc3[nH]2)C1.O=C(NC1CCCCCC1)c1cc2c(F)cc(F)cc2[nH]1.O=C(NC1CCCCCCC1)c1cc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is WQBCKCCPWMTTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.C17H20F2N2O.C16H18F2N2O/c1-5-20(11-13(2)8-14(3)12-20)22-19(23)18-9-15-6-7-16(24-4)10-17(15)21-18;18-11-8-14(19)13-10-16(21-15(13)9-11)17(22)20-12-6-4-2-1-3-5-7-12;17-10-7-13(18)12-9-15(20-14(12)8-10)16(21)19-11-5-3-1-2-4-6-11/h6-7,9-10,14,21H,2,5,8,11-12H2,1,3-4H3,(H,22,23);8-10,12,21H,1-7H2,(H,20,22);7-9,11,20H,1-6H2,(H,19,21).
What are the key properties of N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide?
N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 925.12 g/mol, XLogP of 12.62, 8 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4,6-difluoro-1H-indole-2-carboxamide;N-cyclooctyl-4,6-difluoro-1H-indole-2-carboxamide;N-(1-ethyl-3-methyl-5-methylidenecyclohexyl)-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 144952073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).