5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide

C18H16ClN3O2 — CID 83282724

IUPAC5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
SMILESCCn1c(C(N)=O)cc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C18H16ClN3O2/c1-2-22-15-8-7-12(9-11(15)10-16(22)17(20)23)21-18(24)13-5-3-4-6-14(13)19/h3-10H,2H2,1H3,(H2,20,23)(H,21,24)
InChIKeyJQWRNUULBQJMHU-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.67
Rot. Bonds4

About 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide

5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide (PubChem CID 83282724) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
PubChem CID83282724
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
SMILESCCn1c(C(N)=O)cc2cc(NC(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C18H16ClN3O2/c1-2-22-15-8-7-12(9-11(15)10-16(22)17(20)23)21-18(24)13-5-3-4-6-14(13)19/h3-10H,2H2,1H3,(H2,20,23)(H,21,24)
InChIKeyJQWRNUULBQJMHU-UHFFFAOYSA-N
XLogP3.67
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
CID 83282725
1-ethyl-5-(propanoylamino)indole-2-carboxamide
CID 90488702
1-ethyl-5-(thiophene-2-carbonylamino)indole-2-carboxamide
CID 83282723
5-[(2-chlorobenzoyl)amino]-1-ethyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83282703
2-chloro-N-(1-ethyl-3-oxo-2,1-benzothiazol-5-yl)benzamide
CID 56933576
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
2-benzylsulfanyl-N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83282695
N-(1-ethyl-2-phenylindol-5-yl)-2-methoxybenzamide
CID 24760244
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926
N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide
CID 142731575
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-2-chlorobenzamide
CID 4886625

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide (CID 83282724) is 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide is CCn1c(C(N)=O)cc2cc(NC(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide?
The InChIKey is JQWRNUULBQJMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-2-22-15-8-7-12(9-11(15)10-16(22)17(20)23)21-18(24)13-5-3-4-6-14(13)19/h3-10H,2H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide is sourced from PubChem (CID 83282724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).