2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide

C17H23ClN4O3 — CID 125442731

IUPAC2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
SMILESCCCN1C[C@@H](NC(=O)NCCNC(=O)c2ccccc2Cl)CC1=O
InChIInChI=1S/C17H23ClN4O3/c1-2-9-22-11-12(10-15(22)23)21-17(25)20-8-7-19-16(24)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3,(H,19,24)(H2,20,21,25)/t12-/m0/s1
InChIKeyQCDGINSSZYOXPY-LBPRGKRZSA-N
MW366.85 g/mol
LogP1.38
Rot. Bonds7

About 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide

2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide (PubChem CID 125442731) has the molecular formula C17H23ClN4O3 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
PubChem CID125442731
Molecular FormulaC17H23ClN4O3
Molecular Weight366.85 g/mol
Exact Mass366.15
IUPAC Name2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
SMILESCCCN1C[C@@H](NC(=O)NCCNC(=O)c2ccccc2Cl)CC1=O
InChIInChI=1S/C17H23ClN4O3/c1-2-9-22-11-12(10-15(22)23)21-17(25)20-8-7-19-16(24)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3,(H,19,24)(H2,20,21,25)/t12-/m0/s1
InChIKeyQCDGINSSZYOXPY-LBPRGKRZSA-N
XLogP1.38
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

PF-184298
CID 11392888
2-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]benzamide
CID 18135532
2-chloro-N-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]benzamide
CID 18135825
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818329
(S)-3-chloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11300496
(S)-2,4-dichloro-N-isobutyl-N-(pyrrolidin-3-yl)benzamide
CID 11336016
N-(2-Aminoethyl)-2-chlorobenzamide
CID 13028010
(S)-2,3-dichloro-N-cyclopentyl-N-(pyrrolidin-3-yl)benzamide
CID 23582127
N-[3-(benzylmethylamino)propyl]-2-chlorobenzamide
CID 41306333
N-(((S)-1-((R)-3-amino-4-(3-chlorophenyl)butanoyl)pyrrolidin-2-yl)methyl)benzamide
CID 45268323
2-chloro-N-[2-[(2-chlorobenzoyl)amino]propyl]benzamide
CID 2898745
1-(3-Chlorobenzoyl)imidazolidin-2-one
CID 711851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide (CID 125442731) is 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide is CCCN1C[C@@H](NC(=O)NCCNC(=O)c2ccccc2Cl)CC1=O.
What is the InChIKey of 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide?
The InChIKey is QCDGINSSZYOXPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23ClN4O3/c1-2-9-22-11-12(10-15(22)23)21-17(25)20-8-7-19-16(24)13-5-3-4-6-14(13)18/h3-6,12H,2,7-11H2,1H3,(H,19,24)(H2,20,21,25)/t12-/m0/s1.
What are the key properties of 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide?
2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide has a molecular weight of 366.85 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide is sourced from PubChem (CID 125442731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).