N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide

C15H13ClN2O2 — CID 137153590

IUPACN-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc(Cl)cc1O
InChIInChI=1S/C15H13ClN2O2/c1-10(13-8-7-12(16)9-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)
InChIKeyZKEQTVCQTHCCGP-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.20
Rot. Bonds3

About N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide

N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 137153590) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID137153590
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC NameN-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1)c1ccc(Cl)cc1O
InChIInChI=1S/C15H13ClN2O2/c1-10(13-8-7-12(16)9-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20)
InChIKeyZKEQTVCQTHCCGP-UHFFFAOYSA-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-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
2,4-dichloro-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]benzamide
CID 135688205
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
N-[1-(2,4-dichlorophenyl)ethylideneamino]-2,4-dihydroxybenzamide
CID 3626855
4-amino-N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]benzamide
CID 7955460
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-4-carboxamide
CID 6941499
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide (CID 137153590) is N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1)c1ccc(Cl)cc1O.
What is the InChIKey of N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is ZKEQTVCQTHCCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10(13-8-7-12(16)9-14(13)19)17-18-15(20)11-5-3-2-4-6-11/h2-9,19H,1H3,(H,18,20).
What are the key properties of N-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide?
N-[1-(4-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-[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 137153590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).