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

C16H14ClN2O3P — CID 15958929

IUPAC5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H14ClN2O3P/c1-22-23(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)
InChIKeyNBMJEMWDMSGPCM-UHFFFAOYSA-N
MW348.73 g/mol
LogP2.80
Rot. Bonds4

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

5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide (PubChem CID 15958929) has the molecular formula C16H14ClN2O3P and a molecular weight of 348.73 g/mol. Its IUPAC name is 5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
PubChem CID15958929
Molecular FormulaC16H14ClN2O3P
Molecular Weight348.73 g/mol
Exact Mass348.04
IUPAC Name5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H14ClN2O3P/c1-22-23(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)
InChIKeyNBMJEMWDMSGPCM-UHFFFAOYSA-N
XLogP2.80
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide (CID 15958929) is 5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide is COP(=O)(c1ccccc1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide?
The InChIKey is NBMJEMWDMSGPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN2O3P/c1-22-23(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-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide?
5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide has a molecular weight of 348.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15958929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).