N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C24H19ClFN3O3 — CID 17153830

IUPACN-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C24H19ClFN3O3/c25-20-13-18(10-11-21(20)26)28-23(31)15-6-8-17(9-7-15)27-24(32)16-12-22(30)29(14-16)19-4-2-1-3-5-19/h1-11,13,16H,12,14H2,(H,27,32)(H,28,31)
InChIKeyDSXSKTANPVGLRY-UHFFFAOYSA-N
MW451.89 g/mol
LogP4.72
Rot. Bonds5

About N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17153830) has the molecular formula C24H19ClFN3O3 and a molecular weight of 451.89 g/mol. Its IUPAC name is N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17153830
Molecular FormulaC24H19ClFN3O3
Molecular Weight451.89 g/mol
Exact Mass451.11
IUPAC NameN-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C24H19ClFN3O3/c25-20-13-18(10-11-21(20)26)28-23(31)15-6-8-17(9-7-15)27-24(32)16-12-22(30)29(14-16)19-4-2-1-3-5-19/h1-11,13,16H,12,14H2,(H,27,32)(H,28,31)
InChIKeyDSXSKTANPVGLRY-UHFFFAOYSA-N
XLogP4.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-chloro-4-fluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350589
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190173
methyl 4-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189474
(3S)-N-(3,4-difluorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978656
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792
N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844713
(3S)-N-(3-chlorophenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058153
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153972
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17153830) is N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is DSXSKTANPVGLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3/c25-20-13-18(10-11-21(20)26)28-23(31)15-6-8-17(9-7-15)27-24(32)16-12-22(30)29(14-16)19-4-2-1-3-5-19/h1-11,13,16H,12,14H2,(H,27,32)(H,28,31).
What are the key properties of N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 451.89 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17153830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).