2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide

C16H15FN2O2 — CID 4200169

IUPAC2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O2/c1-11(12-7-9-13(21-2)10-8-12)18-19-16(20)14-5-3-4-6-15(14)17/h3-10H,1-2H3,(H,19,20)
InChIKeyVXOBRKCGINKSAL-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.99
Rot. Bonds4

About 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide

2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide (PubChem CID 4200169) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
PubChem CID4200169
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C16H15FN2O2/c1-11(12-7-9-13(21-2)10-8-12)18-19-16(20)14-5-3-4-6-15(14)17/h3-10H,1-2H3,(H,19,20)
InChIKeyVXOBRKCGINKSAL-UHFFFAOYSA-N
XLogP2.99
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-fluoro-N-[3-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 24818707
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
2-fluoro-N-[(Z)-1-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]ethylideneamino]benzamide
CID 9235557
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 6108928
N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide
CID 9235818
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
2-hydroxy-4-methoxy-N-[(Z)-1-phenylethylideneamino]benzamide
CID 126396445

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide (CID 4200169) is 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide is COc1ccc(C(C)=NNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
The InChIKey is VXOBRKCGINKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-11(12-7-9-13(21-2)10-8-12)18-19-16(20)14-5-3-4-6-15(14)17/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide?
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide has a molecular weight of 286.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4200169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).