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

C19H20ClN2O3P — CID 15958990

IUPAC5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cccc(C(C)C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClN2O3P/c1-11(2)12-5-4-6-14(9-12)26(24,25-3)18-15-10-13(20)7-8-16(15)22-17(18)19(21)23/h4-11,22H,1-3H3,(H2,21,23)
InChIKeyYKZROECIBWPDAX-UHFFFAOYSA-N
MW390.81 g/mol
LogP3.92
Rot. Bonds5

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

5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide (PubChem CID 15958990) has the molecular formula C19H20ClN2O3P and a molecular weight of 390.81 g/mol. Its IUPAC name is 5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide
PubChem CID15958990
Molecular FormulaC19H20ClN2O3P
Molecular Weight390.81 g/mol
Exact Mass390.09
IUPAC Name5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide
SMILESCOP(=O)(c1cccc(C(C)C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H20ClN2O3P/c1-11(2)12-5-4-6-14(9-12)26(24,25-3)18-15-10-13(20)7-8-16(15)22-17(18)19(21)23/h4-11,22H,1-3H3,(H2,21,23)
InChIKeyYKZROECIBWPDAX-UHFFFAOYSA-N
XLogP3.92
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.81
LogP ≤ 53.92
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-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide (CID 15958990) is 5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide is COP(=O)(c1cccc(C(C)C)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide?
The InChIKey is YKZROECIBWPDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN2O3P/c1-11(2)12-5-4-6-14(9-12)26(24,25-3)18-15-10-13(20)7-8-16(15)22-17(18)19(21)23/h4-11,22H,1-3H3,(H2,21,23).
What are the key properties of 5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide?
5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide has a molecular weight of 390.81 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[methoxy-(3-propan-2-ylphenyl)phosphoryl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15958990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).