2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

C15H13ClN2O3 — CID 136749460

IUPAC2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1O
InChIInChI=1S/C15H13ClN2O3/c1-21-14-8-10(6-7-13(14)19)9-17-18-15(20)11-4-2-3-5-12(11)16/h2-9,19H,1H3,(H,18,20)/b17-9-
InChIKeyBZBUQBKBQTZDSO-MFOYZWKCSA-N
MW304.73 g/mol
LogP2.82
Rot. Bonds4

About 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide

2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (PubChem CID 136749460) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
PubChem CID136749460
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1O
InChIInChI=1S/C15H13ClN2O3/c1-21-14-8-10(6-7-13(14)19)9-17-18-15(20)11-4-2-3-5-12(11)16/h2-9,19H,1H3,(H,18,20)/b17-9-
InChIKeyBZBUQBKBQTZDSO-MFOYZWKCSA-N
XLogP2.82
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 2828053
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-chlorobenzamide
CID 5450738
2-chloro-N-[6-[2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
CID 5146322
2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 4582846
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
1-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 136742494
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135678576
2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
N-(2-chlorophenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135683659
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide (CID 136749460) is 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1O.
What is the InChIKey of 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is BZBUQBKBQTZDSO-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-14-8-10(6-7-13(14)19)9-17-18-15(20)11-4-2-3-5-12(11)16/h2-9,19H,1H3,(H,18,20)/b17-9-.
What are the key properties of 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 304.73 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 136749460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).