N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide

C14H17ClN2O2 — CID 78982260

IUPACN-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CNC(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-2-12(9-3-5-11(15)6-4-9)17-14(19)10-7-13(18)16-8-10/h3-6,10,12H,2,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyVKFGLAXCMYVBPP-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.04
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide

N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982260) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78982260
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1CNC(=O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-2-12(9-3-5-11(15)6-4-9)17-14(19)10-7-13(18)16-8-10/h3-6,10,12H,2,7-8H2,1H3,(H,16,18)(H,17,19)
InChIKeyVKFGLAXCMYVBPP-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-6-oxopiperidine-3-carboxamide
CID 112728875
5-oxo-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 78981922
N-[1-(4-chlorophenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119699910
4-(carbamoylamino)-N-[(1S)-1-(4-chlorophenyl)propyl]cyclohexane-1-carboxamide
CID 95274422
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
N-(2-ethyl-1-phenylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 78982591
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546
(3S)-N-[(R)-(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 167436537
tert-butyl 4-[1-(4-chlorophenyl)propylcarbamoyl]piperidine-1-carboxylate
CID 24613419
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166899012

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide (CID 78982260) is N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide is CCC(NC(=O)C1CNC(=O)C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VKFGLAXCMYVBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-12(9-3-5-11(15)6-4-9)17-14(19)10-7-13(18)16-8-10/h3-6,10,12H,2,7-8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide?
N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).