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

C15H13ClN2O3 — CID 691020

IUPAC4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(O)ccc1C=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-21-14-8-13(19)7-4-11(14)9-17-18-15(20)10-2-5-12(16)6-3-10/h2-9,19H,1H3,(H,18,20)
InChIKeyJPGHCTZSVAPTBC-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.82
Rot. Bonds4

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

4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide (PubChem CID 691020) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
PubChem CID691020
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(O)ccc1C=NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClN2O3/c1-21-14-8-13(19)7-4-11(14)9-17-18-15(20)10-2-5-12(16)6-3-10/h2-9,19H,1H3,(H,18,20)
InChIKeyJPGHCTZSVAPTBC-UHFFFAOYSA-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-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 9060329
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
[3-(4-chlorobenzoyl)oxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4646056
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide (CID 691020) is 4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide is COc1cc(O)ccc1C=NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is JPGHCTZSVAPTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-14-8-13(19)7-4-11(14)9-17-18-15(20)10-2-5-12(16)6-3-10/h2-9,19H,1H3,(H,18,20).
What are the key properties of 4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(4-hydroxy-2-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-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 691020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).