4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide

C16H15ClN2O3 — CID 137156329

IUPAC4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(O)c(C(C)=NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-10(14-9-13(22-2)7-8-15(14)20)18-19-16(21)11-3-5-12(17)6-4-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyMFBFZLZQHGAHMG-UHFFFAOYSA-N
MW318.76 g/mol
LogP3.21
Rot. Bonds4

About 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide

4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 137156329) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
PubChem CID137156329
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(O)c(C(C)=NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-10(14-9-13(22-2)7-8-15(14)20)18-19-16(21)11-3-5-12(17)6-4-11/h3-9,20H,1-2H3,(H,19,21)
InChIKeyMFBFZLZQHGAHMG-UHFFFAOYSA-N
XLogP3.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 135582408
2-chloro-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 135824437
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
N-[1-(3-chloro-2-hydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 137121413
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
ethyl N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]carbamate
CID 135758776
4-bromo-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135846609
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide (CID 137156329) is 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide is COc1ccc(O)c(C(C)=NNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is MFBFZLZQHGAHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10(14-9-13(22-2)7-8-15(14)20)18-19-16(21)11-3-5-12(17)6-4-11/h3-9,20H,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide?
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 318.76 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 137156329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).