(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone

C13H8BrCl2NO — CID 107994531

IUPAC(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Cl)cc2Br)cc1Cl
InChIInChI=1S/C13H8BrCl2NO/c14-10-6-8(15)2-3-9(10)13(18)7-1-4-12(17)11(16)5-7/h1-6H,17H2
InChIKeyKQJZQOLWAGEHLH-UHFFFAOYSA-N
MW345.02 g/mol
LogP4.57
Rot. Bonds2

About (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone

(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone (PubChem CID 107994531) has the molecular formula C13H8BrCl2NO and a molecular weight of 345.02 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
PubChem CID107994531
Molecular FormulaC13H8BrCl2NO
Molecular Weight345.02 g/mol
Exact Mass342.92
IUPAC Name(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone
SMILESNc1ccc(C(=O)c2ccc(Cl)cc2Br)cc1Cl
InChIInChI=1S/C13H8BrCl2NO/c14-10-6-8(15)2-3-9(10)13(18)7-1-4-12(17)11(16)5-7/h1-6H,17H2
InChIKeyKQJZQOLWAGEHLH-UHFFFAOYSA-N
XLogP4.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.02
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-3-bromophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107994532
(4-amino-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanone
CID 82779875
(4-amino-3-chlorophenyl)-(2-chloro-4,5-difluorophenyl)methanone
CID 107477758
(2-bromo-4-chlorophenyl)-(4-nitrophenyl)methanone
CID 68537792
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(4-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(2-bromo-4-chlorophenyl)-(3,5-difluorophenyl)methanone
CID 107996333
(2-bromo-4-chlorophenyl)-(3-fluorophenyl)methanone
CID 107996213
(4-amino-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 82787494
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(3-bromo-4-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81472655

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone?
The IUPAC name of (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone (CID 107994531) is (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone?
The canonical SMILES for (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone is Nc1ccc(C(=O)c2ccc(Cl)cc2Br)cc1Cl.
What is the InChIKey of (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone?
The InChIKey is KQJZQOLWAGEHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NO/c14-10-6-8(15)2-3-9(10)13(18)7-1-4-12(17)11(16)5-7/h1-6H,17H2.
What are the key properties of (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone?
(4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone has a molecular weight of 345.02 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl)-(2-bromo-4-chlorophenyl)methanone is sourced from PubChem (CID 107994531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).