5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide

C16H14ClN2O2P — CID 15958937

IUPAC5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide
SMILESCP(=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H14ClN2O2P/c1-22(21,11-5-3-2-4-6-11)15-12-9-10(17)7-8-13(12)19-14(15)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyVNOSREICZPKZRF-UHFFFAOYSA-N
MW332.73 g/mol
LogP2.86
Rot. Bonds3

About 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide

5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide (PubChem CID 15958937) has the molecular formula C16H14ClN2O2P and a molecular weight of 332.73 g/mol. Its IUPAC name is 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide
PubChem CID15958937
Molecular FormulaC16H14ClN2O2P
Molecular Weight332.73 g/mol
Exact Mass332.05
IUPAC Name5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide
SMILESCP(=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H14ClN2O2P/c1-22(21,11-5-3-2-4-6-11)15-12-9-10(17)7-8-13(12)19-14(15)16(18)20/h2-9,19H,1H3,(H2,18,20)
InChIKeyVNOSREICZPKZRF-UHFFFAOYSA-N
XLogP2.86
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.73
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Idx899
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6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one
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3-Benzenesulfonyl-5-chloroindole-2-carboxamide
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5-chloro-3-(3,5-dimethylbenzenesulfonyl)-1H-indole-2-carboxamide
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(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
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1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide (CID 15958937) is 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide is CP(=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide?
The InChIKey is VNOSREICZPKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN2O2P/c1-22(21,11-5-3-2-4-6-11)15-12-9-10(17)7-8-13(12)19-14(15)16(18)20/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide?
5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide has a molecular weight of 332.73 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[methyl(phenyl)phosphoryl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15958937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).