2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C18H17BrN2O2 — CID 7686588

IUPAC2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)ccc1N1CCCC1=O
InChIInChI=1S/C18H17BrN2O2/c1-12-11-13(8-9-16(12)21-10-4-7-17(21)22)20-18(23)14-5-2-3-6-15(14)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23)
InChIKeyZTHJUQGHXFURDB-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.14
Rot. Bonds3

About 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 7686588) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID7686588
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1cc(NC(=O)c2ccccc2Br)ccc1N1CCCC1=O
InChIInChI=1S/C18H17BrN2O2/c1-12-11-13(8-9-16(12)21-10-4-7-17(21)22)20-18(23)14-5-2-3-6-15(14)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23)
InChIKeyZTHJUQGHXFURDB-UHFFFAOYSA-N
XLogP4.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140218
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylsulfanylbenzamide
CID 42142736
2-chloro-3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 131946801
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-nitrobenzamide
CID 7686563
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
2-methoxy-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687400
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
phenyl N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 7686624
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18204867
2,6-difluoro-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687375
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 7686588) is 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is Cc1cc(NC(=O)c2ccccc2Br)ccc1N1CCCC1=O.
What is the InChIKey of 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is ZTHJUQGHXFURDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-11-13(8-9-16(12)21-10-4-7-17(21)22)20-18(23)14-5-2-3-6-15(14)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,23).
What are the key properties of 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 373.25 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7686588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).