(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride

C13H10BrClN2 — CID 5360801

IUPAC(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
SMILESCl/C(=N/Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrClN2/c14-11-8-6-10(7-9-11)13(15)17-16-12-4-2-1-3-5-12/h1-9,16H/b17-13+
InChIKeyXQAFGQJURJIHJD-GHRIWEEISA-N
MW309.59 g/mol
LogP4.46
Rot. Bonds3

About (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride

(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride (PubChem CID 5360801) has the molecular formula C13H10BrClN2 and a molecular weight of 309.59 g/mol. Its IUPAC name is (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
PubChem CID5360801
Molecular FormulaC13H10BrClN2
Molecular Weight309.59 g/mol
Exact Mass307.97
IUPAC Name(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride
SMILESCl/C(=N/Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrClN2/c14-11-8-6-10(7-9-11)13(15)17-16-12-4-2-1-3-5-12/h1-9,16H/b17-13+
InChIKeyXQAFGQJURJIHJD-GHRIWEEISA-N
XLogP4.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-phenylbenzenecarbohydrazonoyl chloride
CID 7290563
N-phenyl-4-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 86046826
(E)-N-(4-methylphenyl)benzenecarbohydrazonoyl chloride
CID 11207300
N-phenylnaphthalene-2-carbohydrazonoyl chloride
CID 167437589
(1Z)-4-iodo-N-(4-iodophenyl)benzenecarbohydrazonoyl chloride
CID 177387067
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
4-methyl-N-phenyl-3-(trifluoromethyl)benzenecarbohydrazonoyl chloride
CID 154203611
2-[(4-bromophenyl)hydrazinylidene]-3-chloro-3-oxopropanoic acid
CID 174928628
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride
CID 131877341
N-(2,4-dichlorophenyl)benzenecarbohydrazonoyl chloride
CID 85434851
(1Z)-3-methyl-4-nitro-N-phenylbenzenecarbohydrazonoyl chloride
CID 12730139
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108

Frequently Asked Questions

What is the IUPAC name of (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride?
The IUPAC name of (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride (CID 5360801) is (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride?
The canonical SMILES for (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride is Cl/C(=N/Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride?
The InChIKey is XQAFGQJURJIHJD-GHRIWEEISA-N. The full InChI is InChI=1S/C13H10BrClN2/c14-11-8-6-10(7-9-11)13(15)17-16-12-4-2-1-3-5-12/h1-9,16H/b17-13+.
What are the key properties of (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride?
(1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride has a molecular weight of 309.59 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-4-bromo-N-phenylbenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 5360801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).