1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C24H29ClN4O3 — CID 108787235

IUPAC1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C24H29ClN4O3/c1-3-28(4-2)14-13-26-23(31)17-5-9-20(10-6-17)27-24(32)18-15-22(30)29(16-18)21-11-7-19(25)8-12-21/h5-12,18H,3-4,13-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyZFLOLZOEDGVMSG-UHFFFAOYSA-N
MW456.97 g/mol
LogP3.40
Rot. Bonds9

About 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 108787235) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID108787235
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C24H29ClN4O3/c1-3-28(4-2)14-13-26-23(31)17-5-9-20(10-6-17)27-24(32)18-15-22(30)29(16-18)21-11-7-19(25)8-12-21/h5-12,18H,3-4,13-16H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyZFLOLZOEDGVMSG-UHFFFAOYSA-N
XLogP3.40
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787236
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
(3S)-N-(4-carbamoylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391052
N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153813
1-(4-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55853603
(3R)-1-(4-bromophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1366068
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 108787235) is 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZFLOLZOEDGVMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-3-28(4-2)14-13-26-23(31)17-5-9-20(10-6-17)27-24(32)18-15-22(30)29(16-18)21-11-7-19(25)8-12-21/h5-12,18H,3-4,13-16H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 456.97 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108787235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).