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

C15H13ClN2O3 — CID 6870625

IUPAC4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H13ClN2O3/c1-21-14-7-2-10(8-13(14)19)9-17-18-15(20)11-3-5-12(16)6-4-11/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyMZNRHTKBCMCCQG-RQZCQDPDSA-N
MW304.73 g/mol
LogP2.82
Rot. Bonds4

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

4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 6870625) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
PubChem CID6870625
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H13ClN2O3/c1-21-14-7-2-10(8-13(14)19)9-17-18-15(20)11-3-5-12(16)6-4-11/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyMZNRHTKBCMCCQG-RQZCQDPDSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 18267513
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6019682
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 5225618
5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5416142
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide (CID 6870625) is 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1O.
What is the InChIKey of 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is MZNRHTKBCMCCQG-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-14-7-2-10(8-13(14)19)9-17-18-15(20)11-3-5-12(16)6-4-11/h2-9,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(E)-(3-hydroxy-4-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 4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6870625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).