1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone

C17H18BrNO — CID 82967655

IUPAC1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone
SMILESCCN(c1ccccc1C)c1cc(Br)ccc1C(C)=O
InChIInChI=1S/C17H18BrNO/c1-4-19(16-8-6-5-7-12(16)2)17-11-14(18)9-10-15(17)13(3)20/h5-11H,4H2,1-3H3
InChIKeyAVCVKJZVSAXPDX-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.12
Rot. Bonds4

About 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone

1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone (PubChem CID 82967655) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone
PubChem CID82967655
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone
SMILESCCN(c1ccccc1C)c1cc(Br)ccc1C(C)=O
InChIInChI=1S/C17H18BrNO/c1-4-19(16-8-6-5-7-12(16)2)17-11-14(18)9-10-15(17)13(3)20/h5-11H,4H2,1-3H3
InChIKeyAVCVKJZVSAXPDX-UHFFFAOYSA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.24
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-2-(N-ethyl-4-methylanilino)phenyl]ethanone
CID 82966813
1-[2-(N-ethyl-2-methylanilino)-5-fluorophenyl]ethanone
CID 28556004
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 82969724
4-bromo-N-ethyl-N-(2-methylphenyl)-2-nitroaniline
CID 63462845
1-[4-bromo-2-[methyl(1-methylsulfanylbutan-2-yl)amino]phenyl]ethanone
CID 112660451
2-amino-4-(N-ethyl-2-methylanilino)benzoic acid
CID 104500134
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
CID 79721752
1-[4-bromo-2-[1-(2-fluorophenyl)ethyl-methylamino]phenyl]ethanone
CID 82956139
1-(4-bromo-2-chlorophenyl)-3-(N,2-dimethylanilino)propan-1-one
CID 82777939
(1S)-1-[3-bromo-4-(N-ethyl-2-methylanilino)phenyl]ethanol
CID 78944645
1-[4-bromo-2-[cyclopropyl(methyl)amino]phenyl]ethanone
CID 82966870
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone (CID 82967655) is 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone is CCN(c1ccccc1C)c1cc(Br)ccc1C(C)=O.
What is the InChIKey of 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone?
The InChIKey is AVCVKJZVSAXPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-4-19(16-8-6-5-7-12(16)2)17-11-14(18)9-10-15(17)13(3)20/h5-11H,4H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone?
1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone has a molecular weight of 332.24 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(N-ethyl-2-methylanilino)phenyl]ethanone is sourced from PubChem (CID 82967655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).