1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone

C16H15BrClNO — CID 60650724

IUPAC1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1ccccc1Br)Cc1ccccc1Cl
InChIInChI=1S/C16H15BrClNO/c1-19(10-12-6-2-5-9-15(12)18)11-16(20)13-7-3-4-8-14(13)17/h2-9H,10-11H2,1H3
InChIKeyZHVFFFIQMZRSIQ-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.42
Rot. Bonds5

About 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone

1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone (PubChem CID 60650724) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
PubChem CID60650724
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone
SMILESCN(CC(=O)c1ccccc1Br)Cc1ccccc1Cl
InChIInChI=1S/C16H15BrClNO/c1-19(10-12-6-2-5-9-15(12)18)11-16(20)13-7-3-4-8-14(13)17/h2-9H,10-11H2,1H3
InChIKeyZHVFFFIQMZRSIQ-UHFFFAOYSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62052197
2-[(2-chlorophenyl)methyl-methylamino]-1-(3,4-dihydroxyphenyl)ethanone
CID 60650400
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 60984093
2-[2-[[(2-chlorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 115462653
propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate
CID 54940311
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 62037111
1-(2-bromophenyl)-2-[2-ethoxyethyl(methyl)amino]ethanone
CID 81057820
1-(2,4-dichlorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650610

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone (CID 60650724) is 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone is CN(CC(=O)c1ccccc1Br)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone?
The InChIKey is ZHVFFFIQMZRSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-19(10-12-6-2-5-9-15(12)18)11-16(20)13-7-3-4-8-14(13)17/h2-9H,10-11H2,1H3.
What are the key properties of 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone?
1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone has a molecular weight of 352.66 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-[(2-chlorophenyl)methyl-methylamino]ethanone is sourced from PubChem (CID 60650724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).