5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide

C24H17ClF2N3O3P — CID 15959018

IUPAC5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cc(F)cc(F)c1)c1c(C(=O)NCc2ccc(C#N)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H17ClF2N3O3P/c1-33-34(32,19-10-17(26)9-18(27)11-19)23-20-8-16(25)6-7-21(20)30-22(23)24(31)29-13-15-4-2-14(12-28)3-5-15/h2-11,30H,13H2,1H3,(H,29,31)
InChIKeyRESKVIXZONKLBN-UHFFFAOYSA-N
MW499.84 g/mol
LogP4.78
Rot. Bonds6

About 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide

5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide (PubChem CID 15959018) has the molecular formula C24H17ClF2N3O3P and a molecular weight of 499.84 g/mol. Its IUPAC name is 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
PubChem CID15959018
Molecular FormulaC24H17ClF2N3O3P
Molecular Weight499.84 g/mol
Exact Mass499.07
IUPAC Name5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cc(F)cc(F)c1)c1c(C(=O)NCc2ccc(C#N)cc2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C24H17ClF2N3O3P/c1-33-34(32,19-10-17(26)9-18(27)11-19)23-20-8-16(25)6-7-21(20)30-22(23)24(31)29-13-15-4-2-14(12-28)3-5-15/h2-11,30H,13H2,1H3,(H,29,31)
InChIKeyRESKVIXZONKLBN-UHFFFAOYSA-N
XLogP4.78
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.84
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]-1H-indole-2-carboxamide
CID 71012163
5-chloro-3-[(3-cyano-5-methylphenyl)-methoxyphosphoryl]-N-[(1-oxidopyridin-1-ium-4-yl)methyl]-1H-indole-2-carboxamide
CID 11634643
5-chloro-3-[(3,5-dicyanophenyl)-methoxyphosphoryl]-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxamide
CID 71012242
5-chloro-3-[(3-chloro-5-cyanophenyl)-methoxyphosphoryl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxamide
CID 70822253
N-[(4-bromophenyl)methyl]-5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide
CID 15959029
5-chloro-3-[methoxy(phenyl)phosphoryl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 15958932
5-chloro-3-[(3-cyano-5-propan-2-ylphenyl)-methoxyphosphoryl]-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-1H-indole-2-carboxamide
CID 71012241
5-chloro-3-[(3-cyano-5-methylphenyl)-methoxyphosphoryl]-N-[(3-methylimidazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 15959036
5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 15959034
N-[(3,5-difluoro-4-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-5-methyl-1H-indole-2-carboxamide
CID 143230695
5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
CID 15958929
5-chloro-3-[[3-[(E)-2-cyanoethenyl]-5-methylphenyl]-methoxyphosphoryl]-1H-indole-2-carboxylic acid
CID 58475139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide (CID 15959018) is 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide is COP(=O)(c1cc(F)cc(F)c1)c1c(C(=O)NCc2ccc(C#N)cc2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
The InChIKey is RESKVIXZONKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N3O3P/c1-33-34(32,19-10-17(26)9-18(27)11-19)23-20-8-16(25)6-7-21(20)30-22(23)24(31)29-13-15-4-2-14(12-28)3-5-15/h2-11,30H,13H2,1H3,(H,29,31).
What are the key properties of 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide?
5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide has a molecular weight of 499.84 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-cyanophenyl)methyl]-3-[(3,5-difluorophenyl)-methoxyphosphoryl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15959018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).