3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one

C15H12BrCl2NO — CID 7237164

IUPAC3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one
SMILESO=C(CCNc1ccccc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12BrCl2NO/c16-11-3-1-2-4-14(11)19-8-7-15(20)10-5-6-12(17)13(18)9-10/h1-6,9,19H,7-8H2
InChIKeyGUJJCPHMMYTMQZ-UHFFFAOYSA-N
MW373.08 g/mol
LogP5.44
Rot. Bonds5

About 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one

3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one (PubChem CID 7237164) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one
PubChem CID7237164
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC Name3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one
SMILESO=C(CCNc1ccccc1Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12BrCl2NO/c16-11-3-1-2-4-14(11)19-8-7-15(20)10-5-6-12(17)13(18)9-10/h1-6,9,19H,7-8H2
InChIKeyGUJJCPHMMYTMQZ-UHFFFAOYSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.08
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
CID 109037837
3-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 116558013
1-(3-chlorophenyl)-3-(2-hydroxyanilino)propan-1-one
CID 22145449
3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 109021435
3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one
CID 146590916
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
1-(3,4-dichlorophenyl)-3-(4-ethylsulfanylanilino)propan-1-one
CID 17383296
3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one
CID 146590885
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one?
The IUPAC name of 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one (CID 7237164) is 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one is O=C(CCNc1ccccc1Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one?
The InChIKey is GUJJCPHMMYTMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c16-11-3-1-2-4-14(11)19-8-7-15(20)10-5-6-12(17)13(18)9-10/h1-6,9,19H,7-8H2.
What are the key properties of 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one?
3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one has a molecular weight of 373.08 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 7237164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).