2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol

C14H12Br2N2O — CID 137308244

IUPAC2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
SMILESC/C(=N\Nc1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H12Br2N2O/c1-9(17-18-11-5-3-2-4-6-11)12-7-10(15)8-13(16)14(12)19/h2-8,18-19H,1H3/b17-9+
InChIKeyDKVLQWACCYWUID-RQZCQDPDSA-N
MW384.07 g/mol
LogP4.75
Rot. Bonds3

About 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol

2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol (PubChem CID 137308244) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
PubChem CID137308244
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol
SMILESC/C(=N\Nc1ccccc1)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H12Br2N2O/c1-9(17-18-11-5-3-2-4-6-11)12-7-10(15)8-13(16)14(12)19/h2-8,18-19H,1H3/b17-9+
InChIKeyDKVLQWACCYWUID-RQZCQDPDSA-N
XLogP4.75
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137125205
2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137157108
N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 137037552
3,5-dibromo-2-hydroxy-N-phenylbenzamide
CID 17404
2-(N-anilino-C-methylcarbonimidoyl)-4-methylphenol
CID 5240881
2-[(Z)-N-anilino-C-methylcarbonimidoyl]-4-methylphenol
CID 136704879
2-(N-anilino-C-methylcarbonimidoyl)benzoic acid
CID 2768362
4-bromo-N-[(E)-1-(2-chlorophenyl)ethylideneamino]aniline
CID 131740065
ethane;N-[(Z)-1-phenylethylideneamino]aniline
CID 91599108
N-[(E)-1-(2-methoxyphenyl)ethylideneamino]aniline
CID 15349196
3-(N-anilino-C-methylcarbonimidoyl)pyridin-4-amine
CID 86746349
1-[(E)-1-(5-bromo-2-hydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135557700

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol?
The IUPAC name of 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol (CID 137308244) is 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol is C/C(=N\Nc1ccccc1)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol?
The InChIKey is DKVLQWACCYWUID-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-9(17-18-11-5-3-2-4-6-11)12-7-10(15)8-13(16)14(12)19/h2-8,18-19H,1H3/b17-9+.
What are the key properties of 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol?
2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol has a molecular weight of 384.07 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-anilino-C-methylcarbonimidoyl]-4,6-dibromophenol is sourced from PubChem (CID 137308244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).