(3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

C19H18BrFN2O2 — CID 92991416

IUPAC(3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Br)cc1N1CC[C@H](C(=O)NCc2ccccc2F)C1=O
InChIInChI=1S/C19H18BrFN2O2/c1-12-6-7-14(20)10-17(12)23-9-8-15(19(23)25)18(24)22-11-13-4-2-3-5-16(13)21/h2-7,10,15H,8-9,11H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyPSMCKWVSRGOKCW-OAHLLOKOSA-N
MW405.27 g/mol
LogP3.57
Rot. Bonds4

About (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide

(3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 92991416) has the molecular formula C19H18BrFN2O2 and a molecular weight of 405.27 g/mol. Its IUPAC name is (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID92991416
Molecular FormulaC19H18BrFN2O2
Molecular Weight405.27 g/mol
Exact Mass404.05
IUPAC Name(3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Br)cc1N1CC[C@H](C(=O)NCc2ccccc2F)C1=O
InChIInChI=1S/C19H18BrFN2O2/c1-12-6-7-14(20)10-17(12)23-9-8-15(19(23)25)18(24)22-11-13-4-2-3-5-16(13)21/h2-7,10,15H,8-9,11H2,1H3,(H,22,24)/t15-/m1/s1
InChIKeyPSMCKWVSRGOKCW-OAHLLOKOSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(5-bromo-2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46062571
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
1-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46048883
N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42656575
(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
1-(2-fluoro-5-methylphenyl)-2-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42853827
1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 42853829
1-(4-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797771
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744134
(3R)-1-(3-bromophenyl)-N-[(2,3-dimethoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 52533801

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide (CID 92991416) is (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is Cc1ccc(Br)cc1N1CC[C@H](C(=O)NCc2ccccc2F)C1=O.
What is the InChIKey of (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is PSMCKWVSRGOKCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18BrFN2O2/c1-12-6-7-14(20)10-17(12)23-9-8-15(19(23)25)18(24)22-11-13-4-2-3-5-16(13)21/h2-7,10,15H,8-9,11H2,1H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide?
(3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 405.27 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92991416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).