5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide

C17H17ClN2O3 — CID 5154909

IUPAC5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-3-23-14-7-4-12(5-8-14)11(2)19-20-17(22)15-10-13(18)6-9-16(15)21/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyITVCNRYMZJKYBO-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.60
Rot. Bonds5

About 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide

5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide (PubChem CID 5154909) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
PubChem CID5154909
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
SMILESCCOc1ccc(C(C)=NNC(=O)c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C17H17ClN2O3/c1-3-23-14-7-4-12(5-8-14)11(2)19-20-17(22)15-10-13(18)6-9-16(15)21/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyITVCNRYMZJKYBO-UHFFFAOYSA-N
XLogP3.60
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.60
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

5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3129907
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
2-[5-[(Z)-N-[(5-chloro-2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid
CID 9297810
5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
CID 5340622
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-4-[(4-ethoxyphenoxy)methyl]benzamide
CID 6027125
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide (CID 5154909) is 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide is CCOc1ccc(C(C)=NNC(=O)c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide?
The InChIKey is ITVCNRYMZJKYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-3-23-14-7-4-12(5-8-14)11(2)19-20-17(22)15-10-13(18)6-9-16(15)21/h4-10,21H,3H2,1-2H3,(H,20,22).
What are the key properties of 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide?
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide has a molecular weight of 332.79 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 5154909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).