5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide

C19H18ClN2O2P — CID 143230657

IUPAC5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
SMILESCOP(c1cccc(C2CC2)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H18ClN2O2P/c1-24-25(14-4-2-3-12(9-14)11-5-6-11)18-15-10-13(20)7-8-16(15)22-17(18)19(21)23/h2-4,7-11,22H,5-6H2,1H3,(H2,21,23)
InChIKeyNHPXJLBECHSDMM-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.79
Rot. Bonds5

About 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide

5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide (PubChem CID 143230657) has the molecular formula C19H18ClN2O2P and a molecular weight of 372.79 g/mol. Its IUPAC name is 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
PubChem CID143230657
Molecular FormulaC19H18ClN2O2P
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
SMILESCOP(c1cccc(C2CC2)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H18ClN2O2P/c1-24-25(14-4-2-3-12(9-14)11-5-6-11)18-15-10-13(20)7-8-16(15)22-17(18)19(21)23/h2-4,7-11,22H,5-6H2,1H3,(H2,21,23)
InChIKeyNHPXJLBECHSDMM-UHFFFAOYSA-N
XLogP3.79
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.79
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

(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane
CID 143275096
5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230568
5-chloro-3-[[3-[(E)-2-cyanoethenyl]phenyl]-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230453
5-chloro-3-[methoxy-(3-methylphenyl)phosphanyl]-1H-indole-2-carboxylic acid
CID 143230675
5-chloro-3-[(3-fluorophenyl)-methoxyphosphanyl]-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide
CID 143230600
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-3-(1-methylcyclopropyl)-1H-indole-2-carboxamide
CID 74767740
5-chloro-3-[iodo(methoxy)phosphoryl]-1H-indole-2-carboxamide
CID 88896255
5-chloro-3-[methoxy(phenyl)phosphoryl]-1H-indole-2-carboxamide
CID 15958929
5-chloro-3-[methyl(oxan-4-yl)sulfamoyl]-1H-indole-2-carboxamide
CID 10067849
5-chloro-3-[(3-chlorophenyl)methylsulfamoyl]-1H-indole-2-carboxamide
CID 67375248
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide (CID 143230657) is 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide is COP(c1cccc(C2CC2)c1)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide?
The InChIKey is NHPXJLBECHSDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN2O2P/c1-24-25(14-4-2-3-12(9-14)11-5-6-11)18-15-10-13(20)7-8-16(15)22-17(18)19(21)23/h2-4,7-11,22H,5-6H2,1H3,(H2,21,23).
What are the key properties of 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide?
5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide has a molecular weight of 372.79 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 143230657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).