1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one

C14H19BrClNO — CID 82779483

IUPAC1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one
SMILESCCC(C)N(C)CCC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-4-10(2)17(3)8-7-14(18)12-6-5-11(15)9-13(12)16/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyWWSKHNVIMNPNBC-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.41
Rot. Bonds6

About 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one

1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one (PubChem CID 82779483) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one
PubChem CID82779483
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one
SMILESCCC(C)N(C)CCC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClNO/c1-4-10(2)17(3)8-7-14(18)12-6-5-11(15)9-13(12)16/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyWWSKHNVIMNPNBC-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-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

1-(4-bromo-2-chlorophenyl)-3-[2-hydroxypropyl(methyl)amino]propan-1-one
CID 82780037
1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-one
CID 82778702
1-(4-bromo-2-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propan-1-one
CID 82779868
1-(4-bromo-2-chlorophenyl)-3-(N,2-dimethylanilino)propan-1-one
CID 82777939
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877
1-(4-bromo-2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 82779411
4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
CID 104556236
N-(1-aminopropan-2-yl)-4-bromo-2-chloro-N-methylbenzamide
CID 119584919
1-(4-bromo-2-chlorophenyl)-2-ethoxyethanone
CID 115782953
methyl 6-(4-bromo-2-chlorophenyl)-6-oxohexanoate
CID 146010872
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-2-chloro-N-methylbenzamide
CID 43805487
1-(4-bromo-2-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 114963420

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one (CID 82779483) is 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one is CCC(C)N(C)CCC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one?
The InChIKey is WWSKHNVIMNPNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-4-10(2)17(3)8-7-14(18)12-6-5-11(15)9-13(12)16/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one?
1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one has a molecular weight of 332.67 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[butan-2-yl(methyl)amino]propan-1-one is sourced from PubChem (CID 82779483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).