1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone

C16H15Br2NO — CID 82967281

IUPAC1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C16H15Br2NO/c1-11(20)14-9-13(17)7-8-16(14)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10H2,1-2H3
InChIKeyJUCIWCFUTFHKBI-UHFFFAOYSA-N
MW397.11 g/mol
LogP5.05
Rot. Bonds4

About 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone

1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone (PubChem CID 82967281) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone
PubChem CID82967281
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone
SMILESCC(=O)c1cc(Br)ccc1N(C)Cc1ccccc1Br
InChIInChI=1S/C16H15Br2NO/c1-11(20)14-9-13(17)7-8-16(14)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10H2,1-2H3
InChIKeyJUCIWCFUTFHKBI-UHFFFAOYSA-N
XLogP5.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-[(2-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 114891434
1-[5-bromo-2-[methyl(propyl)amino]phenyl]ethanone
CID 82967352
4-bromo-N-[(2-bromophenyl)methyl]-N-methyl-2-nitroaniline
CID 63462025
4-bromo-2-[(2-bromophenyl)methyl-methylamino]benzaldehyde
CID 63535972
2-[(2-bromophenyl)methyl-methylamino]benzenecarbothioamide
CID 61420434
4-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81232826
1-[2-[(4-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 60699051
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
5-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 114892900
1-[5-bromo-2-[cyclohexylmethyl(methyl)amino]phenyl]ethanone
CID 82967364
1-[5-bromo-2-[methyl(pentan-3-yl)amino]phenyl]ethanone
CID 82967354
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone (CID 82967281) is 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone is CC(=O)c1cc(Br)ccc1N(C)Cc1ccccc1Br.
What is the InChIKey of 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone?
The InChIKey is JUCIWCFUTFHKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-11(20)14-9-13(17)7-8-16(14)19(2)10-12-5-3-4-6-15(12)18/h3-9H,10H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone?
1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone has a molecular weight of 397.11 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2-bromophenyl)methyl-methylamino]phenyl]ethanone is sourced from PubChem (CID 82967281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).