1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C19H19BrN2O2 — CID 113190339

IUPAC1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c(Br)c1
InChIInChI=1S/C19H19BrN2O2/c1-13-8-9-17(16(20)10-13)22-12-14(11-18(22)23)19(24)21(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3
InChIKeyIUAHLBPFFUZHIX-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.77
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 113190339) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID113190339
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c(Br)c1
InChIInChI=1S/C19H19BrN2O2/c1-13-8-9-17(16(20)10-13)22-12-14(11-18(22)23)19(24)21(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3
InChIKeyIUAHLBPFFUZHIX-UHFFFAOYSA-N
XLogP3.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
1-(4-tert-butylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187256
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 34319195
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
1-(2-bromo-4-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113190318
1-(2-bromo-4-methylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708828
1-(2-bromo-4-methylphenyl)-2-oxo-1,4-diazepane-6-carboxylic acid
CID 84607636
1-(2-bromo-4-methylphenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711701
methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189313

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 113190339) is 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)N(C)c3ccccc3)CC2=O)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is IUAHLBPFFUZHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13-8-9-17(16(20)10-13)22-12-14(11-18(22)23)19(24)21(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113190339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).