3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide

C11H11BrClNO — CID 115659974

IUPAC3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
SMILESC=C(Cl)CNC(=O)c1cccc(Br)c1C
InChIInChI=1S/C11H11BrClNO/c1-7(13)6-14-11(15)9-4-3-5-10(12)8(9)2/h3-5H,1,6H2,2H3,(H,14,15)
InChIKeyXKGXRMZFZCURCZ-UHFFFAOYSA-N
MW288.57 g/mol
LogP3.24
Rot. Bonds3

About 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide

3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide (PubChem CID 115659974) has the molecular formula C11H11BrClNO and a molecular weight of 288.57 g/mol. Its IUPAC name is 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
PubChem CID115659974
Molecular FormulaC11H11BrClNO
Molecular Weight288.57 g/mol
Exact Mass286.97
IUPAC Name3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide
SMILESC=C(Cl)CNC(=O)c1cccc(Br)c1C
InChIInChI=1S/C11H11BrClNO/c1-7(13)6-14-11(15)9-4-3-5-10(12)8(9)2/h3-5H,1,6H2,2H3,(H,14,15)
InChIKeyXKGXRMZFZCURCZ-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
CID 115659844
2-chloro-N-(2-chloroprop-2-enyl)-3-methylbenzamide
CID 115766012
3-bromo-N-(2-bromopropyl)-2-methylbenzamide
CID 114308590
lithium;2-[(3-bromo-2-methylbenzoyl)amino]acetic acid;methyl 2-[(3-bromo-2-methylbenzoyl)amino]acetate;hydroxide
CID 158853348
N-(2-bromoprop-2-enyl)-2,3-dimethylbenzamide
CID 115594477
N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
CID 81483938
3-bromo-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81485364
(2S)-2-[[2-[(3-bromo-2-methylbenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120694755
3-bromo-N-(2-chloro-3-methoxypropyl)-2-methylbenzamide
CID 114298695
2,5-dibromo-N-(2-chloroprop-2-enyl)benzamide
CID 114372871
3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
CID 79401552
3-bromo-N-(4-bromopentyl)-2-methylbenzamide
CID 106130435

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide?
The IUPAC name of 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide (CID 115659974) is 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide is C=C(Cl)CNC(=O)c1cccc(Br)c1C.
What is the InChIKey of 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide?
The InChIKey is XKGXRMZFZCURCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO/c1-7(13)6-14-11(15)9-4-3-5-10(12)8(9)2/h3-5H,1,6H2,2H3,(H,14,15).
What are the key properties of 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide?
3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide has a molecular weight of 288.57 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloroprop-2-enyl)-2-methylbenzamide is sourced from PubChem (CID 115659974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).