4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide

C17H19FN2O — CID 63210632

IUPAC4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
SMILESCCNc1ccc(C(=O)NCc2ccccc2F)cc1C
InChIInChI=1S/C17H19FN2O/c1-3-19-16-9-8-13(10-12(16)2)17(21)20-11-14-6-4-5-7-15(14)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyKJCZLIIZJXFWGV-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.50
Rot. Bonds5

About 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide

4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide (PubChem CID 63210632) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
PubChem CID63210632
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
SMILESCCNc1ccc(C(=O)NCc2ccccc2F)cc1C
InChIInChI=1S/C17H19FN2O/c1-3-19-16-9-8-13(10-12(16)2)17(21)20-11-14-6-4-5-7-15(14)18/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyKJCZLIIZJXFWGV-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2-fluorophenyl)methyl]-3-methylbenzamide
CID 113396747
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
4-(ethylamino)-3-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55163644
3-[(2-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432295
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide (CID 63210632) is 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide is CCNc1ccc(C(=O)NCc2ccccc2F)cc1C.
What is the InChIKey of 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide?
The InChIKey is KJCZLIIZJXFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-19-16-9-8-13(10-12(16)2)17(21)20-11-14-6-4-5-7-15(14)18/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide?
4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(2-fluorophenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 63210632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).