2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide

C16H14BrClN2O3 — CID 136826715

IUPAC2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C/N=C/c2cc(Cl)cc(Br)c2O)c(O)c1
InChIInChI=1S/C16H14BrClN2O3/c1-9-2-3-13(14(21)4-9)20-15(22)8-19-7-10-5-11(18)6-12(17)16(10)23/h2-7,21,23H,8H2,1H3,(H,20,22)/b19-7+
InChIKeyWHQKUHXPKNYMNT-FBCYGCLPSA-N
MW397.66 g/mol
LogP3.88
Rot. Bonds4

About 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide

2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide (PubChem CID 136826715) has the molecular formula C16H14BrClN2O3 and a molecular weight of 397.66 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
PubChem CID136826715
Molecular FormulaC16H14BrClN2O3
Molecular Weight397.66 g/mol
Exact Mass395.99
IUPAC Name2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)C/N=C/c2cc(Cl)cc(Br)c2O)c(O)c1
InChIInChI=1S/C16H14BrClN2O3/c1-9-2-3-13(14(21)4-9)20-15(22)8-19-7-10-5-11(18)6-12(17)16(10)23/h2-7,21,23H,8H2,1H3,(H,20,22)/b19-7+
InChIKeyWHQKUHXPKNYMNT-FBCYGCLPSA-N
XLogP3.88
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.66
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]acetic acid
CID 136811178
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)acetamide
CID 135596146
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)acetamide
CID 135598021
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-[5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-chlorophenyl]butanamide
CID 3936044
2-(2-bromo-4-methylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135560356
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 7979690
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxyphenyl)acetamide
CID 136814304
2-bromo-4-chloro-6-[2-(propylamino)ethyliminomethyl]phenol
CID 135912099
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-methylbenzamide
CID 137069281

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide (CID 136826715) is 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide is Cc1ccc(NC(=O)C/N=C/c2cc(Cl)cc(Br)c2O)c(O)c1.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide?
The InChIKey is WHQKUHXPKNYMNT-FBCYGCLPSA-N. The full InChI is InChI=1S/C16H14BrClN2O3/c1-9-2-3-13(14(21)4-9)20-15(22)8-19-7-10-5-11(18)6-12(17)16(10)23/h2-7,21,23H,8H2,1H3,(H,20,22)/b19-7+.
What are the key properties of 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide?
2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide has a molecular weight of 397.66 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-N-(2-hydroxy-4-methylphenyl)acetamide is sourced from PubChem (CID 136826715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).