4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide

C17H24ClN3O2 — CID 119449447

IUPAC4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNC1
InChIInChI=1S/C17H24ClN3O2/c1-3-11(2)15(17(23)20-14-8-9-19-10-14)21-16(22)12-4-6-13(18)7-5-12/h4-7,11,14-15,19H,3,8-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQNZYQAPUHBTHJE-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.96
Rot. Bonds6

About 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide

4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide (PubChem CID 119449447) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
PubChem CID119449447
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNC1
InChIInChI=1S/C17H24ClN3O2/c1-3-11(2)15(17(23)20-14-8-9-19-10-14)21-16(22)12-4-6-13(18)7-5-12/h4-7,11,14-15,19H,3,8-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQNZYQAPUHBTHJE-UHFFFAOYSA-N
XLogP1.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[3-methyl-1-[(2-methylpiperidin-4-yl)amino]-1-oxopentan-2-yl]benzamide
CID 120598886
4-chloro-N-[3-methyl-1-oxo-1-(piperidin-3-ylamino)butan-2-yl]benzamide
CID 119428842
4-chloro-N-[3-methyl-1-oxo-1-[(1-propylpiperidin-4-yl)amino]pentan-2-yl]benzamide
CID 78809540
4-[[2-[(4-chlorobenzoyl)amino]-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 119229311
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119554960
N-[1-[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 134047768
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119389974
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 2363260

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide (CID 119449447) is 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCNC1.
What is the InChIKey of 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide?
The InChIKey is QNZYQAPUHBTHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-11(2)15(17(23)20-14-8-9-19-10-14)21-16(22)12-4-6-13(18)7-5-12/h4-7,11,14-15,19H,3,8-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide?
4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide has a molecular weight of 337.85 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-methyl-1-oxo-1-(pyrrolidin-3-ylamino)pentan-2-yl]benzamide is sourced from PubChem (CID 119449447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).