(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C25H22FN3O3 — CID 40977882

IUPAC(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C25H22FN3O3/c1-16-6-2-4-8-21(16)27-25(32)20-7-3-5-9-22(20)28-24(31)17-14-23(30)29(15-17)19-12-10-18(26)11-13-19/h2-13,17H,14-15H2,1H3,(H,27,32)(H,28,31)/t17-/m1/s1
InChIKeyBRAAENYHNPKUOQ-QGZVFWFLSA-N
MW431.47 g/mol
LogP4.38
Rot. Bonds5

About (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40977882) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40977882
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name(3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C25H22FN3O3/c1-16-6-2-4-8-21(16)27-25(32)20-7-3-5-9-22(20)28-24(31)17-14-23(30)29(15-17)19-12-10-18(26)11-13-19/h2-13,17H,14-15H2,1H3,(H,27,32)(H,28,31)/t17-/m1/s1
InChIKeyBRAAENYHNPKUOQ-QGZVFWFLSA-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

(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
(3R)-1-(4-methoxyphenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40822829
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3S)-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 34909716
N-(2-chlorophenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3122127
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840
1-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55870262
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082103
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390159
(3R)-1-(4-fluorophenyl)-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964228
(3R)-N-(2-methylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236685

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 40977882) is (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BRAAENYHNPKUOQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-16-6-2-4-8-21(16)27-25(32)20-7-3-5-9-22(20)28-24(31)17-14-23(30)29(15-17)19-12-10-18(26)11-13-19/h2-13,17H,14-15H2,1H3,(H,27,32)(H,28,31)/t17-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)-N-[2-[(2-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 (3R)-1-(4-fluorophenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40977882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).