2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

C17H15FN2O — CID 4996860

IUPAC2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1ccccc1F)=Cc1ccccc1
InChIInChI=1S/C17H15FN2O/c1-13(11-14-7-3-2-4-8-14)12-19-20-17(21)15-9-5-6-10-16(15)18/h2-12H,1H3,(H,20,21)
InChIKeyPNIZVOZMPBNAPI-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.64
Rot. Bonds4

About 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (PubChem CID 4996860) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
PubChem CID4996860
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1ccccc1F)=Cc1ccccc1
InChIInChI=1S/C17H15FN2O/c1-13(11-14-7-3-2-4-8-14)12-19-20-17(21)15-9-5-6-10-16(15)18/h2-12H,1H3,(H,20,21)
InChIKeyPNIZVOZMPBNAPI-UHFFFAOYSA-N
XLogP3.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3623202
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 6371781
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151
2-fluoro-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6907981
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The IUPAC name of 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (CID 4996860) is 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is CC(C=NNC(=O)c1ccccc1F)=Cc1ccccc1.
What is the InChIKey of 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The InChIKey is PNIZVOZMPBNAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-13(11-14-7-3-2-4-8-14)12-19-20-17(21)15-9-5-6-10-16(15)18/h2-12H,1H3,(H,20,21).
What are the key properties of 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide has a molecular weight of 282.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is sourced from PubChem (CID 4996860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).