N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

C18H25ClN2O2 — CID 112826660

IUPACN-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)NCCc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C18H25ClN2O2/c1-3-16(4-2)21-12-14(11-17(21)22)18(23)20-10-9-13-5-7-15(19)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyWQGPFZDAWGTPKX-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 112826660) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID112826660
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)N1CC(C(=O)NCCc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C18H25ClN2O2/c1-3-16(4-2)21-12-14(11-17(21)22)18(23)20-10-9-13-5-7-15(19)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3,(H,20,23)
InChIKeyWQGPFZDAWGTPKX-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
N-[2-(ethylamino)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119506044
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
(3R)-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 51937367
N-[2-(4-chlorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182532
N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513201
N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84955148
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9217109
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
1-(4-chlorophenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108809814
N-[2-(4-aminophenyl)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 119547411
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide (CID 112826660) is N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)N1CC(C(=O)NCCc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is WQGPFZDAWGTPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-3-16(4-2)21-12-14(11-17(21)22)18(23)20-10-9-13-5-7-15(19)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 112826660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).