N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C25H22ClN3O3 — CID 17153972

IUPACN-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C25H22ClN3O3/c26-22-9-5-4-6-18(22)15-27-24(31)17-10-12-20(13-11-17)28-25(32)19-14-23(30)29(16-19)21-7-2-1-3-8-21/h1-13,19H,14-16H2,(H,27,31)(H,28,32)
InChIKeyJNNQXULAFODHJI-UHFFFAOYSA-N
MW447.92 g/mol
LogP4.26
Rot. Bonds6

About N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17153972) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17153972
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C25H22ClN3O3/c26-22-9-5-4-6-18(22)15-27-24(31)17-10-12-20(13-11-17)28-25(32)19-14-23(30)29(16-19)21-7-2-1-3-8-21/h1-13,19H,14-16H2,(H,27,31)(H,28,32)
InChIKeyJNNQXULAFODHJI-UHFFFAOYSA-N
XLogP4.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792
N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153813
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153830
N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153911
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
(3R)-N-(4-iodophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1286852
N-[4-(dipropylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153801
5-oxo-1-phenyl-N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153935
4-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 2983118
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713
5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153892

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17153972) is N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JNNQXULAFODHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c26-22-9-5-4-6-18(22)15-27-24(31)17-10-12-20(13-11-17)28-25(32)19-14-23(30)29(16-19)21-7-2-1-3-8-21/h1-13,19H,14-16H2,(H,27,31)(H,28,32).
What are the key properties of N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 447.92 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17153972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).