3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one

C17H17BrClNO — CID 63493359

IUPAC3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
SMILESCN(CCC(=O)c1ccccc1Cl)Cc1cccc(Br)c1
InChIInChI=1S/C17H17BrClNO/c1-20(12-13-5-4-6-14(18)11-13)10-9-17(21)15-7-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3
InChIKeyHVMKJQWHEJBASI-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.81
Rot. Bonds6

About 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one

3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one (PubChem CID 63493359) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
PubChem CID63493359
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
SMILESCN(CCC(=O)c1ccccc1Cl)Cc1cccc(Br)c1
InChIInChI=1S/C17H17BrClNO/c1-20(12-13-5-4-6-14(18)11-13)10-9-17(21)15-7-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3
InChIKeyHVMKJQWHEJBASI-UHFFFAOYSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)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

3-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 62642965
1-(2-chlorophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 55099203
1-(3-bromophenyl)-4-(2-chlorophenyl)butane-1,4-dione
CID 90363452
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
CID 63567379
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
1-[(3-bromophenyl)methyl]-3-(2-chlorophenyl)-1-methylurea
CID 60969760
3-[(3-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980775
N-[(3-bromophenyl)methyl]-5-chloro-N-methylpentan-1-amine
CID 61416596
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
1-(4-bromo-2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 82779411

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one?
The IUPAC name of 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one (CID 63493359) is 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one.
What is the SMILES notation for 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one?
The canonical SMILES for 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one is CN(CCC(=O)c1ccccc1Cl)Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one?
The InChIKey is HVMKJQWHEJBASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c1-20(12-13-5-4-6-14(18)11-13)10-9-17(21)15-7-2-3-8-16(15)19/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one?
3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one has a molecular weight of 366.69 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one is sourced from PubChem (CID 63493359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).