(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone

C13H9BrClNO — CID 125473458

IUPAC(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
SMILESNc1c(Br)cc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C13H9BrClNO/c14-11-7-9(15)6-10(12(11)16)13(17)8-4-2-1-3-5-8/h1-7H,16H2
InChIKeyKJZQBXJABHLTPW-UHFFFAOYSA-N
MW310.58 g/mol
LogP3.92
Rot. Bonds2

About (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone

(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone (PubChem CID 125473458) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
PubChem CID125473458
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC Name(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
SMILESNc1c(Br)cc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C13H9BrClNO/c14-11-7-9(15)6-10(12(11)16)13(17)8-4-2-1-3-5-8/h1-7H,16H2
InChIKeyKJZQBXJABHLTPW-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

(2,3-diamino-4,5-dibromophenyl)-phenylmethanone
CID 90217028
(2-amino-3-benzoyl-5-chlorophenyl) nitrite
CID 142756484
(2-aminophenyl)-phenylmethanone
CID 158207972
[2-(2-amino-5-chlorophenyl)phenyl]-phenylmethanone
CID 139344273
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
2-[2-amino-5-chloro-3-(4-iodobenzoyl)phenyl]acetic acid
CID 13408278
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
N-(5-benzoyl-2-chlorophenyl)-3-bromo-5-chloro-2-hydroxybenzamide
CID 71343570
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-bromo-6-chloroquinolin-3-yl)-phenylmethanone
CID 132557289
2-benzoyl-4-chloro-6-methylbenzonitrile
CID 166441428
N-(2-benzoyl-4-chlorophenyl)-N-bromoacetamide
CID 154157817

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone?
The IUPAC name of (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone (CID 125473458) is (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone.
What is the SMILES notation for (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone?
The canonical SMILES for (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone is Nc1c(Br)cc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone?
The InChIKey is KJZQBXJABHLTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO/c14-11-7-9(15)6-10(12(11)16)13(17)8-4-2-1-3-5-8/h1-7H,16H2.
What are the key properties of (2-amino-3-bromo-5-chlorophenyl)-phenylmethanone?
(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone 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-3-bromo-5-chlorophenyl)-phenylmethanone is sourced from PubChem (CID 125473458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).