N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide

C16H14ClFN2O3 — CID 795240

IUPACN-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCCOc1cc(C=NNC(=O)c2cccc(F)c2)cc(Cl)c1O
InChIInChI=1S/C16H14ClFN2O3/c1-2-23-14-7-10(6-13(17)15(14)21)9-19-20-16(22)11-4-3-5-12(18)8-11/h3-9,21H,2H2,1H3,(H,20,22)
InChIKeyLELNUMZAIJIZIN-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.35
Rot. Bonds5

About N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide

N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide (PubChem CID 795240) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
PubChem CID795240
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC NameN-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
SMILESCCOc1cc(C=NNC(=O)c2cccc(F)c2)cc(Cl)c1O
InChIInChI=1S/C16H14ClFN2O3/c1-2-23-14-7-10(6-13(17)15(14)21)9-19-20-16(22)11-4-3-5-12(18)8-11/h3-9,21H,2H2,1H3,(H,20,22)
InChIKeyLELNUMZAIJIZIN-UHFFFAOYSA-N
XLogP3.35
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-hydroxybenzamide
CID 135673817
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135643375
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 137160364
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137085188
4-tert-butyl-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135582484
N'-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 137079049
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 135710501
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-3-fluorobenzamide
CID 126110168
N-[(E)-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315930
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643431
2-bromo-N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135554853

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The IUPAC name of N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide (CID 795240) is N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide.
What is the SMILES notation for N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The canonical SMILES for N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide is CCOc1cc(C=NNC(=O)c2cccc(F)c2)cc(Cl)c1O.
What is the InChIKey of N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide?
The InChIKey is LELNUMZAIJIZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-2-23-14-7-10(6-13(17)15(14)21)9-19-20-16(22)11-4-3-5-12(18)8-11/h3-9,21H,2H2,1H3,(H,20,22).
What are the key properties of N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide?
N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide has a molecular weight of 336.75 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide is sourced from PubChem (CID 795240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).