N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide

C16H15FN2O3 — CID 773930

IUPACN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESCCOc1cc(C=NNC(=O)c2ccccc2F)ccc1O
InChIInChI=1S/C16H15FN2O3/c1-2-22-15-9-11(7-8-14(15)20)10-18-19-16(21)12-5-3-4-6-13(12)17/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyQCPRCONFJHYXGD-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.69
Rot. Bonds5

About N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide

N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide (PubChem CID 773930) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
PubChem CID773930
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC NameN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
SMILESCCOc1cc(C=NNC(=O)c2ccccc2F)ccc1O
InChIInChI=1S/C16H15FN2O3/c1-2-22-15-9-11(7-8-14(15)20)10-18-19-16(21)12-5-3-4-6-13(12)17/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyQCPRCONFJHYXGD-UHFFFAOYSA-N
XLogP2.69
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.69
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-ethoxy-4-hydroxyphenyl)methylideneamino]-2-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)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 6907962
N-[1-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 135606359
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4646183
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-methylquinoline-3-carboxamide
CID 838467
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
2-chloro-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135905932
2-chloro-N-[(Z)-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110509220
N-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 9235761
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide?
The IUPAC name of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide (CID 773930) is N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide.
What is the SMILES notation for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide?
The canonical SMILES for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide is CCOc1cc(C=NNC(=O)c2ccccc2F)ccc1O.
What is the InChIKey of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide?
The InChIKey is QCPRCONFJHYXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-2-22-15-9-11(7-8-14(15)20)10-18-19-16(21)12-5-3-4-6-13(12)17/h3-10,20H,2H2,1H3,(H,19,21).
What are the key properties of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide?
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide has a molecular weight of 302.31 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide is sourced from PubChem (CID 773930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).