2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone

C16H14BrCl2NO — CID 63567379

IUPAC2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1cccc(Br)c1
InChIInChI=1S/C16H14BrCl2NO/c1-20(9-11-3-2-4-13(17)7-11)10-16(21)12-5-6-14(18)15(19)8-12/h2-8H,9-10H2,1H3
InChIKeyAKQDKTYWTTVRQO-UHFFFAOYSA-N
MW387.10 g/mol
LogP5.07
Rot. Bonds5

About 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone

2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone (PubChem CID 63567379) has the molecular formula C16H14BrCl2NO and a molecular weight of 387.10 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
PubChem CID63567379
Molecular FormulaC16H14BrCl2NO
Molecular Weight387.10 g/mol
Exact Mass384.96
IUPAC Name2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone
SMILESCN(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1cccc(Br)c1
InChIInChI=1S/C16H14BrCl2NO/c1-20(9-11-3-2-4-13(17)7-11)10-16(21)12-5-6-14(18)15(19)8-12/h2-8H,9-10H2,1H3
InChIKeyAKQDKTYWTTVRQO-UHFFFAOYSA-N
XLogP5.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.10
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-[(3-bromophenyl)methyl-methylamino]-1-(4-fluorophenyl)ethanone
CID 62035174
2-[(3-bromophenyl)methyl-methylamino]-1-(4-ethylphenyl)ethanone
CID 63567910
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
3-[(3-bromophenyl)methyl-methylamino]-1-(2-chlorophenyl)propan-1-one
CID 63493359
2-[(3-bromophenyl)methyl-methylamino]-1-(5-bromothiophen-2-yl)ethanone
CID 62036527
1-(4-chlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 60650420
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
2-[[2-(3,4-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 62050806

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone (CID 63567379) is 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone is CN(CC(=O)c1ccc(Cl)c(Cl)c1)Cc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is AKQDKTYWTTVRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrCl2NO/c1-20(9-11-3-2-4-13(17)7-11)10-16(21)12-5-6-14(18)15(19)8-12/h2-8H,9-10H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone?
2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 387.10 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl-methylamino]-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 63567379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).