(2,3-diamino-4,5-dibromophenyl)-phenylmethanone

C13H10Br2N2O — CID 90217028

IUPAC(2,3-diamino-4,5-dibromophenyl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)cc(Br)c(Br)c1N
InChIInChI=1S/C13H10Br2N2O/c14-9-6-8(11(16)12(17)10(9)15)13(18)7-4-2-1-3-5-7/h1-6H,16-17H2
InChIKeyNXJVHEGLMVPURA-UHFFFAOYSA-N
MW370.04 g/mol
LogP3.61
Rot. Bonds2

About (2,3-diamino-4,5-dibromophenyl)-phenylmethanone

(2,3-diamino-4,5-dibromophenyl)-phenylmethanone (PubChem CID 90217028) has the molecular formula C13H10Br2N2O and a molecular weight of 370.04 g/mol. Its IUPAC name is (2,3-diamino-4,5-dibromophenyl)-phenylmethanone.

Molecular Properties

Compound Name(2,3-diamino-4,5-dibromophenyl)-phenylmethanone
PubChem CID90217028
Molecular FormulaC13H10Br2N2O
Molecular Weight370.04 g/mol
Exact Mass367.92
IUPAC Name(2,3-diamino-4,5-dibromophenyl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)cc(Br)c(Br)c1N
InChIInChI=1S/C13H10Br2N2O/c14-9-6-8(11(16)12(17)10(9)15)13(18)7-4-2-1-3-5-7/h1-6H,16-17H2
InChIKeyNXJVHEGLMVPURA-UHFFFAOYSA-N
XLogP3.61
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.04
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,3-diamino-4,5-dibromophenyl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-3-bromo-5-chlorophenyl)-phenylmethanone
CID 125473458
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
diphenylmethanone
CID 3102
(2-amino-3-benzoylphenyl) thiohypobromite
CID 155200120
[2-(2-benzoyloxy-4,5-dibromobenzoyl)-4,5-dibromophenyl] benzoate
CID 141250024
4-amino-2-benzoylbenzoic acid
CID 21494601
[2-amino-5-(1-hydroxyethyl)phenyl]-phenylmethanone
CID 154157308
3-benzoyl-4-bromobenzonitrile
CID 91883965
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547

Frequently Asked Questions

What is the IUPAC name of (2,3-diamino-4,5-dibromophenyl)-phenylmethanone?
The IUPAC name of (2,3-diamino-4,5-dibromophenyl)-phenylmethanone (CID 90217028) is (2,3-diamino-4,5-dibromophenyl)-phenylmethanone.
What is the SMILES notation for (2,3-diamino-4,5-dibromophenyl)-phenylmethanone?
The canonical SMILES for (2,3-diamino-4,5-dibromophenyl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)cc(Br)c(Br)c1N.
What is the InChIKey of (2,3-diamino-4,5-dibromophenyl)-phenylmethanone?
The InChIKey is NXJVHEGLMVPURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O/c14-9-6-8(11(16)12(17)10(9)15)13(18)7-4-2-1-3-5-7/h1-6H,16-17H2.
What are the key properties of (2,3-diamino-4,5-dibromophenyl)-phenylmethanone?
(2,3-diamino-4,5-dibromophenyl)-phenylmethanone has a molecular weight of 370.04 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diamino-4,5-dibromophenyl)-phenylmethanone is sourced from PubChem (CID 90217028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).