N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide

C15H13ClN2O2 — CID 135578375

IUPACN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)/b17-10+
InChIKeyZQAYLTHKLYBTAW-LICLKQGHSA-N
MW288.73 g/mol
LogP3.20
Rot. Bonds3

About N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide

N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 135578375) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID135578375
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)/b17-10+
InChIKeyZQAYLTHKLYBTAW-LICLKQGHSA-N
XLogP3.20
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137153590
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 135582408
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-ethylsulfonylbenzamide
CID 136994938
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135771109
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 135683679
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
5-chloro-2-hydroxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5416440
N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 137129713
4-chloro-N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 3299264

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide (CID 135578375) is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is ZQAYLTHKLYBTAW-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10(13-9-12(16)7-8-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 288.73 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 135578375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).