1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide

C19H19BrN2O2 — CID 110614172

IUPAC1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)C2CCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C19H19BrN2O2/c1-13-9-15(20)11-16(10-13)21-19(24)17-7-8-18(23)22(17)12-14-5-3-2-4-6-14/h2-6,9-11,17H,7-8,12H2,1H3,(H,21,24)
InChIKeyFONJIIPQPONUAT-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.89
Rot. Bonds4

About 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110614172) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110614172
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)C2CCC(=O)N2Cc2ccccc2)c1
InChIInChI=1S/C19H19BrN2O2/c1-13-9-15(20)11-16(10-13)21-19(24)17-7-8-18(23)22(17)12-14-5-3-2-4-6-14/h2-6,9-11,17H,7-8,12H2,1H3,(H,21,24)
InChIKeyFONJIIPQPONUAT-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110627221
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110427077
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 110612890
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide (CID 110614172) is 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide is Cc1cc(Br)cc(NC(=O)C2CCC(=O)N2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is FONJIIPQPONUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13-9-15(20)11-16(10-13)21-19(24)17-7-8-18(23)22(17)12-14-5-3-2-4-6-14/h2-6,9-11,17H,7-8,12H2,1H3,(H,21,24).
What are the key properties of 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110614172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).