3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide

C16H14FN3O2 — CID 771273

IUPAC3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3O2/c1-11(21)19-15-4-2-3-13(9-15)16(22)20-18-10-12-5-7-14(17)8-6-12/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyRFHJQQUNGGTUOI-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.55
Rot. Bonds4

About 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide

3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide (PubChem CID 771273) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
PubChem CID771273
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NN=Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3O2/c1-11(21)19-15-4-2-3-13(9-15)16(22)20-18-10-12-5-7-14(17)8-6-12/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeyRFHJQQUNGGTUOI-UHFFFAOYSA-N
XLogP2.55
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide 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

3-acetamido-N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 135842502
3-acetamido-N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 3877269
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3-fluorobenzamide
CID 6895131
3-[(4-fluorobenzoyl)amino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135957362
3-[(4-fluorobenzoyl)amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136746485

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide (CID 771273) is 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide is CC(=O)Nc1cccc(C(=O)NN=Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide?
The InChIKey is RFHJQQUNGGTUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-11(21)19-15-4-2-3-13(9-15)16(22)20-18-10-12-5-7-14(17)8-6-12/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide?
3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide has a molecular weight of 299.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4-fluorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 771273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).