N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C25H22FN3O3 — CID 50844489

IUPACN-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N3CC(C(=O)Nc4ccc(F)cc4)CC3=O)c2)cc1
InChIInChI=1S/C25H22FN3O3/c1-16-5-9-20(10-6-16)27-24(31)17-3-2-4-22(13-17)29-15-18(14-23(29)30)25(32)28-21-11-7-19(26)8-12-21/h2-13,18H,14-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyRBMONCWSZYPXGX-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.38
Rot. Bonds5

About N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50844489) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50844489
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC NameN-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(N3CC(C(=O)Nc4ccc(F)cc4)CC3=O)c2)cc1
InChIInChI=1S/C25H22FN3O3/c1-16-5-9-20(10-6-16)27-24(31)17-3-2-4-22(13-17)29-15-18(14-23(29)30)25(32)28-21-11-7-19(26)8-12-21/h2-13,18H,14-15H2,1H3,(H,27,31)(H,28,32)
InChIKeyRBMONCWSZYPXGX-UHFFFAOYSA-N
XLogP4.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058194
(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058207
(3R)-N-(2,3-dimethylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058180
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058167
N-(3,4-dimethylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50844327
3-[(4R)-4-(azepane-1-carbonyl)-2-oxopyrrolidin-1-yl]-N-(4-methylphenyl)benzamide
CID 95058184
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)-N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7279210
4-[[(3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005077
N-(2,3-dimethylphenyl)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50844748
(3S)-N-(5-chloro-2-methylphenyl)-5-oxo-1-[3-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 95058157

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 50844489) is N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(NC(=O)c2cccc(N3CC(C(=O)Nc4ccc(F)cc4)CC3=O)c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RBMONCWSZYPXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-16-5-9-20(10-6-16)27-24(31)17-3-2-4-22(13-17)29-15-18(14-23(29)30)25(32)28-21-11-7-19(26)8-12-21/h2-13,18H,14-15H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50844489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).