(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone

C13H9BrClNO — CID 15918246

IUPAC(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
SMILESNc1cc(Br)ccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClNO/c14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2
InChIKeyBGZJRHNECZDMJL-UHFFFAOYSA-N
MW310.58 g/mol
LogP3.92
Rot. Bonds2

About (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone

(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone (PubChem CID 15918246) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
PubChem CID15918246
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC Name(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
SMILESNc1cc(Br)ccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClNO/c14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2
InChIKeyBGZJRHNECZDMJL-UHFFFAOYSA-N
XLogP3.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-4-bromophenyl)-(3,4-difluorophenyl)methanone
CID 116591705
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(2-amino-4-bromophenyl)-(2-amino-5-chloro-3-pyridinyl)methanone
CID 116591815
(2-amino-4-bromophenyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114736998
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874
(2-amino-4-bromophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116591847
2-amino-4-bromo-N-[(4-chlorophenyl)methyl]benzamide
CID 79714993
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044
(4-chlorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344984
2-amino-4-bromo-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 79703626

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone (CID 15918246) is (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone is Nc1cc(Br)ccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone?
The InChIKey is BGZJRHNECZDMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO/c14-9-3-6-11(12(16)7-9)13(17)8-1-4-10(15)5-2-8/h1-7H,16H2.
What are the key properties of (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone?
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone has a molecular weight of 310.58 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-bromophenyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 15918246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).