N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide

C17H17ClN2O4 — CID 135582408

IUPACN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C(\C)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C17H17ClN2O4/c1-10(15-8-12(18)4-5-16(15)21)19-20-17(22)11-6-13(23-2)9-14(7-11)24-3/h4-9,21H,1-3H3,(H,20,22)/b19-10+
InChIKeyXSMBHXHMGWYGAI-VXLYETTFSA-N
MW348.79 g/mol
LogP3.22
Rot. Bonds5

About N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide

N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide (PubChem CID 135582408) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
PubChem CID135582408
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N/N=C(\C)c2cc(Cl)ccc2O)c1
InChIInChI=1S/C17H17ClN2O4/c1-10(15-8-12(18)4-5-16(15)21)19-20-17(22)11-6-13(23-2)9-14(7-11)24-3/h4-9,21H,1-3H3,(H,20,22)/b19-10+
InChIKeyXSMBHXHMGWYGAI-VXLYETTFSA-N
XLogP3.22
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]benzamide
CID 135578375
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-3,5-dimethoxybenzamide
CID 135749482
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135771109
2-chloro-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 135824437
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185
5-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 5154909
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-ethylsulfonylbenzamide
CID 136994938
N-[(Z)-1-(2,5-dihydroxyphenyl)propylideneamino]-3,5-dimethoxybenzamide
CID 135621568

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide (CID 135582408) is N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N/N=C(\C)c2cc(Cl)ccc2O)c1.
What is the InChIKey of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide?
The InChIKey is XSMBHXHMGWYGAI-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-10(15-8-12(18)4-5-16(15)21)19-20-17(22)11-6-13(23-2)9-14(7-11)24-3/h4-9,21H,1-3H3,(H,20,22)/b19-10+.
What are the key properties of N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide?
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide has a molecular weight of 348.79 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide is sourced from PubChem (CID 135582408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).