3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide

C17H17BrN2O2 — CID 26538678

IUPAC3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H17BrN2O2/c1-11-6-7-15(12(2)8-11)20-16(21)10-19-17(22)13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUBDZJPTUEZQMEO-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.43
Rot. Bonds4

About 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide

3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide (PubChem CID 26538678) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
PubChem CID26538678
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)c(C)c1
InChIInChI=1S/C17H17BrN2O2/c1-11-6-7-15(12(2)8-11)20-16(21)10-19-17(22)13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyUBDZJPTUEZQMEO-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(methylsulfonylmethyl)benzamide
CID 27781579
3-bromo-N-[2-(2,6-diethylanilino)-2-oxoethyl]benzamide
CID 112997289
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 46755786
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 4586964
2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
CID 112996471
3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-2-methyl-N-phenylbenzamide
CID 60607763

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide (CID 26538678) is 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide is Cc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)c(C)c1.
What is the InChIKey of 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide?
The InChIKey is UBDZJPTUEZQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-11-6-7-15(12(2)8-11)20-16(21)10-19-17(22)13-4-3-5-14(18)9-13/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide?
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide has a molecular weight of 361.24 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 26538678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).