1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C14H17ClN2O2 — CID 2844952

IUPAC1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O2/c1-2-7-16-14(19)10-8-13(18)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,19)
InChIKeyNGPQGVRZDWPLLD-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.22
Rot. Bonds4

About 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 2844952) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID2844952
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClN2O2/c1-2-7-16-14(19)10-8-13(18)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,19)
InChIKeyNGPQGVRZDWPLLD-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
tert-butyl N-[2-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 29131189
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
N-[2-(4-chlorophenoxy)ethyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18273088
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
1-(2,4-dichlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113190926
5-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119234476
(3R)-N-[2-(4-chlorophenoxy)ethyl]-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30135344
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119630418
1-(4-chlorophenyl)-N-(3-formamidopropyl)-5-oxopyrrolidine-3-carboxamide
CID 108787223

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 2844952) is 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is NGPQGVRZDWPLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-2-7-16-14(19)10-8-13(18)17(9-10)12-5-3-11(15)4-6-12/h3-6,10H,2,7-9H2,1H3,(H,16,19).
What are the key properties of 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 2844952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).