4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline

C13H12BrN3 — CID 625740

IUPAC4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline
SMILESNN=C(c1ccccc1)c1cc(Br)ccc1N
InChIInChI=1S/C13H12BrN3/c14-10-6-7-12(15)11(8-10)13(17-16)9-4-2-1-3-5-9/h1-8H,15-16H2
InChIKeyIRDUHPSVEBCHJM-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.74
Rot. Bonds2

About 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline

4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline (PubChem CID 625740) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline
PubChem CID625740
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline
SMILESNN=C(c1ccccc1)c1cc(Br)ccc1N
InChIInChI=1S/C13H12BrN3/c14-10-6-7-12(15)11(8-10)13(17-16)9-4-2-1-3-5-9/h1-8H,15-16H2
InChIKeyIRDUHPSVEBCHJM-UHFFFAOYSA-N
XLogP2.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684
4-bromo-2-(C,N-diphenylcarbonimidoyl)aniline
CID 3577590
(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide
CID 125499883
bis(2-amino-5-bromobenzoic acid);nickel
CID 4112549
bis(2-amino-5-bromobenzoic acid);cobalt
CID 5074264
2-[(E)-C-(4-methylphenyl)carbonohydrazonoyl]aniline
CID 172940611
CID 144689894
CID 144689894
N-[[5-bromo-2-(methylamino)phenyl]-phenylmethylidene]hydroxylamine
CID 625564
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
[(3-bromophenyl)-pyridin-2-ylmethylidene]hydrazine
CID 131874594
N'-amino-3-bromobenzenecarboximidamide
CID 83534045
3-(2-amino-5-bromobenzoyl)benzonitrile
CID 23078646

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline?
The IUPAC name of 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline (CID 625740) is 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline.
What is the SMILES notation for 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline?
The canonical SMILES for 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline is NN=C(c1ccccc1)c1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline?
The InChIKey is IRDUHPSVEBCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c14-10-6-7-12(15)11(8-10)13(17-16)9-4-2-1-3-5-9/h1-8H,15-16H2.
What are the key properties of 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline?
4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline has a molecular weight of 290.16 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline is sourced from PubChem (CID 625740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).