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

C18H18ClN2O2P — CID 143230568

IUPAC5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
SMILESCCc1cccc(P(OC)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C18H18ClN2O2P/c1-3-11-5-4-6-13(9-11)24(23-2)17-14-10-12(19)7-8-15(14)21-16(17)18(20)22/h4-10,21H,3H2,1-2H3,(H2,20,22)
InChIKeyIQBRRHOOADHSKH-UHFFFAOYSA-N
MW360.78 g/mol
LogP3.48
Rot. Bonds5

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

5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide (PubChem CID 143230568) has the molecular formula C18H18ClN2O2P and a molecular weight of 360.78 g/mol. Its IUPAC name is 5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
PubChem CID143230568
Molecular FormulaC18H18ClN2O2P
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
SMILESCCc1cccc(P(OC)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C18H18ClN2O2P/c1-3-11-5-4-6-13(9-11)24(23-2)17-14-10-12(19)7-8-15(14)21-16(17)18(20)22/h4-10,21H,3H2,1-2H3,(H2,20,22)
InChIKeyIQBRRHOOADHSKH-UHFFFAOYSA-N
XLogP3.48
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 53.48
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-3-[(3-cyclopropylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide
CID 143230657
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
methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
CID 142664195
5-chloro-3-[(3-chlorophenyl)methylsulfamoyl]-1H-indole-2-carboxamide
CID 67375248
(5-chloro-2-methyl-1H-indol-3-yl)-(3-cyclopropylphenyl)-methoxyphosphane
CID 143275096
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
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-(2-phenylethylsulfamoyl)-1H-indole-2-carboxamide
CID 10068194

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide (CID 143230568) is 5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide is CCc1cccc(P(OC)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of 5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide?
The InChIKey is IQBRRHOOADHSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN2O2P/c1-3-11-5-4-6-13(9-11)24(23-2)17-14-10-12(19)7-8-15(14)21-16(17)18(20)22/h4-10,21H,3H2,1-2H3,(H2,20,22).
What are the key properties of 5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide?
5-chloro-3-[(3-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide has a molecular weight of 360.78 g/mol, XLogP of 3.48, 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-ethylphenyl)-methoxyphosphanyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 143230568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).