1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide

C21H22ClN3O3 — CID 50816123

IUPAC1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O3/c1-2-23-20(27)18-10-5-11-25(18)21(28)15-7-4-9-17(13-15)24-19(26)14-6-3-8-16(22)12-14/h3-4,6-9,12-13,18H,2,5,10-11H2,1H3,(H,23,27)(H,24,26)
InChIKeyQOYZCGLVSFZSCL-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.33
Rot. Bonds5

About 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide

1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 50816123) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID50816123
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C21H22ClN3O3/c1-2-23-20(27)18-10-5-11-25(18)21(28)15-7-4-9-17(13-15)24-19(26)14-6-3-8-16(22)12-14/h3-4,6-9,12-13,18H,2,5,10-11H2,1H3,(H,23,27)(H,24,26)
InChIKeyQOYZCGLVSFZSCL-UHFFFAOYSA-N
XLogP3.33
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[3-[(3-fluorobenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92895040
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
1-[3-[(3-methylbenzoyl)amino]benzoyl]-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 50815932
1-[3-[(2-methoxybenzoyl)amino]benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 50815967
1-[3-(3-methylbutanoylamino)benzoyl]-N-propylpyrrolidine-2-carboxamide
CID 46375210
(2S)-N-cyclopentyl-1-[3-[(3-fluorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92895034
(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide
CID 70788441
1-[3-[(3-ethoxybenzoyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243616
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
ethyl 3-[[1-(2,5-dichlorobenzoyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 55607238
(2R)-N-butyl-1-[4-[(4-chlorobenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729977
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide (CID 50816123) is 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)C1CCCN1C(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is QOYZCGLVSFZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-2-23-20(27)18-10-5-11-25(18)21(28)15-7-4-9-17(13-15)24-19(26)14-6-3-8-16(22)12-14/h3-4,6-9,12-13,18H,2,5,10-11H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide?
1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chlorobenzoyl)amino]benzoyl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 50816123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).