4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide

C17H19FN2O2 — CID 110170555

IUPAC4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-22-11-10-19-17(21)14-4-2-13(3-5-14)12-20-16-8-6-15(18)7-9-16/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyVQPJRXQDRACUPI-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.81
Rot. Bonds7

About 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide

4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 110170555) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
PubChem CID110170555
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-22-11-10-19-17(21)14-4-2-13(3-5-14)12-20-16-8-6-15(18)7-9-16/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyVQPJRXQDRACUPI-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
N-(2-methoxyethyl)-4-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 54836212
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-4-fluorobenzamide
CID 110441661
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
4-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185962
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
N-benzyl-4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]benzamide
CID 54844190
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
4-[(4-fluorophenyl)methylsulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059819
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide (CID 110170555) is 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is VQPJRXQDRACUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-22-11-10-19-17(21)14-4-2-13(3-5-14)12-20-16-8-6-15(18)7-9-16/h2-9,20H,10-12H2,1H3,(H,19,21).
What are the key properties of 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide?
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 302.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 110170555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).