(4-bromophenyl)-(4-hydrazinylphenyl)methanone

C13H11BrN2O — CID 141456998

IUPAC(4-bromophenyl)-(4-hydrazinylphenyl)methanone
SMILESNNc1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrN2O/c14-11-5-1-9(2-6-11)13(17)10-3-7-12(16-15)8-4-10/h1-8,16H,15H2
InChIKeyNSIXJKZIHPHQCC-UHFFFAOYSA-N
MW291.15 g/mol
LogP2.97
Rot. Bonds3

About (4-bromophenyl)-(4-hydrazinylphenyl)methanone

(4-bromophenyl)-(4-hydrazinylphenyl)methanone (PubChem CID 141456998) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is (4-bromophenyl)-(4-hydrazinylphenyl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(4-hydrazinylphenyl)methanone
PubChem CID141456998
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name(4-bromophenyl)-(4-hydrazinylphenyl)methanone
SMILESNNc1ccc(C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrN2O/c14-11-5-1-9(2-6-11)13(17)10-3-7-12(16-15)8-4-10/h1-8,16H,15H2
InChIKeyNSIXJKZIHPHQCC-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-bromophenyl)-(4-hydrazinylphenyl)methanone 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

4-hydrazinylbenzoic acid;hydron;chloride
CID 90134098
4-hydrazinyl-N-methylbenzamide
CID 20649402
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
(4-bromophenyl)urea
CID 16074
(4-bromophenyl)-(1H-pyrazol-4-yl)methanone
CID 69200129
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
CID 23509276
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
[4-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanone
CID 84608781
1-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-3-(4-bromophenyl)urea
CID 91344269

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-hydrazinylphenyl)methanone?
The IUPAC name of (4-bromophenyl)-(4-hydrazinylphenyl)methanone (CID 141456998) is (4-bromophenyl)-(4-hydrazinylphenyl)methanone.
What is the SMILES notation for (4-bromophenyl)-(4-hydrazinylphenyl)methanone?
The canonical SMILES for (4-bromophenyl)-(4-hydrazinylphenyl)methanone is NNc1ccc(C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-hydrazinylphenyl)methanone?
The InChIKey is NSIXJKZIHPHQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-5-1-9(2-6-11)13(17)10-3-7-12(16-15)8-4-10/h1-8,16H,15H2.
What are the key properties of (4-bromophenyl)-(4-hydrazinylphenyl)methanone?
(4-bromophenyl)-(4-hydrazinylphenyl)methanone has a molecular weight of 291.15 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-hydrazinylphenyl)methanone is sourced from PubChem (CID 141456998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).