N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide

C15H13ClN2O3 — CID 71537752

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2cccc(Cl)c2)ccc1O
InChIInChI=1S/C15H13ClN2O3/c1-21-14-8-11(5-6-13(14)19)15(20)18-17-9-10-3-2-4-12(16)7-10/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyWSIIPNRJLQNPHM-RQZCQDPDSA-N
MW304.73 g/mol
LogP2.82
Rot. Bonds4

About N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide

N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide (PubChem CID 71537752) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
PubChem CID71537752
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C/c2cccc(Cl)c2)ccc1O
InChIInChI=1S/C15H13ClN2O3/c1-21-14-8-11(5-6-13(14)19)15(20)18-17-9-10-3-2-4-12(16)7-10/h2-9,19H,1H3,(H,18,20)/b17-9+
InChIKeyWSIIPNRJLQNPHM-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-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 872770
4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 24818461
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 135559989
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
4-chloro-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6870625
4-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-sulfamoylbenzamide
CID 135582522
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126331077

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide (CID 71537752) is N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)N/N=C/c2cccc(Cl)c2)ccc1O.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide?
The InChIKey is WSIIPNRJLQNPHM-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-14-8-11(5-6-13(14)19)15(20)18-17-9-10-3-2-4-12(16)7-10/h2-9,19H,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide 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 N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 71537752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).