2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

C16H15FN2O3 — CID 135519338

IUPAC2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c1-22-15-9-14(20)7-4-12(15)10-18-19-16(21)8-11-2-5-13(17)6-3-11/h2-7,9-10,20H,8H2,1H3,(H,19,21)/b18-10+
InChIKeyXPCTYJJVSPJTTG-VCHYOVAHSA-N
MW302.31 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide

2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135519338) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
PubChem CID135519338
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H15FN2O3/c1-22-15-9-14(20)7-4-12(15)10-18-19-16(21)8-11-2-5-13(17)6-3-11/h2-7,9-10,20H,8H2,1H3,(H,19,21)/b18-10+
InChIKeyXPCTYJJVSPJTTG-VCHYOVAHSA-N
XLogP2.23
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 ≤ 52.23
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 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide 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

2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135489099
3-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
CID 137283260
2-(4-fluorophenyl)-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]acetamide
CID 137304420
N'-[4-methoxy-3-(methoxymethyl)benzylidene]-2-(4-methoxyphenyl)acetohydrazide
CID 5412031
4-(4-methoxyphenyl)-N'-[(E)-(2-methoxyphenyl)methylidene]butanehydrazide
CID 9596425
Hydroxy-phenyl-acetic acid (4-ethoxy-2-hydroxy-benzylidene)-hydrazide
CID 135537517
N'-hydroxy-N-[(E)-(4-hydroxy-2,6-dimethoxyphenyl)methylideneamino]heptanediamide
CID 135886613
Phenyl-thioacetic acid [1-(2-hydroxy-4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazide
CID 136029182
(4-Propoxy-phenyl)-acetic acid (4-fluoro-benzylidene)-hydrazide
CID 6083617
N'~1~,N'~6~-bis[(E)-(2,4-dihydroxyphenyl)methylidene]hexanedihydrazide
CID 135555030
3-(4-hydroxyphenyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 9582873

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide (CID 135519338) is 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is COc1cc(O)ccc1/C=N/NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is XPCTYJJVSPJTTG-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-22-15-9-14(20)7-4-12(15)10-18-19-16(21)8-11-2-5-13(17)6-3-11/h2-7,9-10,20H,8H2,1H3,(H,19,21)/b18-10+.
What are the key properties of 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide?
2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 302.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135519338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).