1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one

C17H18BrNO — CID 43229292

IUPAC1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
SMILESCN(CCCC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-19(16-6-3-2-4-7-16)13-5-8-17(20)14-9-11-15(18)12-10-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyHLQCTXFJYGXSAI-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one

1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one (PubChem CID 43229292) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
PubChem CID43229292
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
SMILESCN(CCCC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H18BrNO/c1-19(16-6-3-2-4-7-16)13-5-8-17(20)14-9-11-15(18)12-10-14/h2-4,6-7,9-12H,5,8,13H2,1H3
InChIKeyHLQCTXFJYGXSAI-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one 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

3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
CID 43793128
1-(4-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-one
CID 65488620
1-(4-bromophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butan-1-one
CID 79389968
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
1-(4-bromophenyl)ethyl-(4-oxo-4-phenylbutyl)carbamic acid
CID 123186255
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
4-[3-(4-bromo-N-methylanilino)propoxy]benzoic acid
CID 14882909

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one (CID 43229292) is 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one is CN(CCCC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one?
The InChIKey is HLQCTXFJYGXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-19(16-6-3-2-4-7-16)13-5-8-17(20)14-9-11-15(18)12-10-14/h2-4,6-7,9-12H,5,8,13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one?
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one has a molecular weight of 332.24 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one is sourced from PubChem (CID 43229292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).