N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C18H17BrN2O2 — CID 27826911

IUPACN-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)c(Br)c1
InChIInChI=1S/C18H17BrN2O2/c1-12-7-8-16(15(19)10-12)20-18(23)13-4-2-5-14(11-13)21-9-3-6-17(21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,23)
InChIKeyWVADZYISDLNUHV-UHFFFAOYSA-N
MW373.25 g/mol
LogP4.14
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 27826911) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID27826911
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)c(Br)c1
InChIInChI=1S/C18H17BrN2O2/c1-12-7-8-16(15(19)10-12)20-18(23)13-4-2-5-14(11-13)21-9-3-6-17(21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,23)
InChIKeyWVADZYISDLNUHV-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-(5-methyl-2-pyridinyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51250769
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18127986
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
N-(2,6-difluorophenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174706
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-[1-(2,4-dimethylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651775
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7760528
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
N-(2-bromo-4-methylphenyl)-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007467
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18166253
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 27826911) is N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WVADZYISDLNUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-7-8-16(15(19)10-12)20-18(23)13-4-2-5-14(11-13)21-9-3-6-17(21)22/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)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 N-(2-bromo-4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 27826911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).