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

C18H17BrN2O2 — CID 7686978

IUPAC3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCCC1=O
InChIInChI=1S/C18H17BrN2O2/c1-12-7-8-15(11-16(12)21-9-3-6-17(21)22)20-18(23)13-4-2-5-14(19)10-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,23)
InChIKeyJMFHIOVPHOWLHC-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.14
Rot. Bonds3

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

3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 7686978) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID7686978
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCCC1=O
InChIInChI=1S/C18H17BrN2O2/c1-12-7-8-15(11-16(12)21-9-3-6-17(21)22)20-18(23)13-4-2-5-14(19)10-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,23)
InChIKeyJMFHIOVPHOWLHC-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

N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
3,4-difluoro-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687739
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686984
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate
CID 7686963
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 7686708
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
2,2-dimethyl-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 7687770
4-butoxy-N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687807
[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 169357597
3-(ethylsulfamoyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24613493

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 7686978) is 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(Br)c2)cc1N1CCCC1=O.
What is the InChIKey of 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is JMFHIOVPHOWLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-7-8-15(11-16(12)21-9-3-6-17(21)22)20-18(23)13-4-2-5-14(19)10-13/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,23).
What are the key properties of 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-bromo-N-[4-methyl-3-(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 3-bromo-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7686978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).