3-[(4-fluorophenyl)methylamino]-N-propylbenzamide

C17H19FN2O — CID 43675966

IUPAC3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-2-10-19-17(21)14-4-3-5-16(11-14)20-12-13-6-8-15(18)9-7-13/h3-9,11,20H,2,10,12H2,1H3,(H,19,21)
InChIKeyXAVFGAZGIPQYII-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.58
Rot. Bonds6

About 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide

3-[(4-fluorophenyl)methylamino]-N-propylbenzamide (PubChem CID 43675966) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
PubChem CID43675966
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-[(4-fluorophenyl)methylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H19FN2O/c1-2-10-19-17(21)14-4-3-5-16(11-14)20-12-13-6-8-15(18)9-7-13/h3-9,11,20H,2,10,12H2,1H3,(H,19,21)
InChIKeyXAVFGAZGIPQYII-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[(4-fluorophenyl)methylamino]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]benzamide
CID 50983440
3-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-(3-phenylpropylamino)-N-propylbenzamide
CID 78885469
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[(4,5-dibromothiophen-2-yl)methylamino]-N-propylbenzamide
CID 102831885
3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
CID 106816302
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide (CID 43675966) is 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCc2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide?
The InChIKey is XAVFGAZGIPQYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-10-19-17(21)14-4-3-5-16(11-14)20-12-13-6-8-15(18)9-7-13/h3-9,11,20H,2,10,12H2,1H3,(H,19,21).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide?
3-[(4-fluorophenyl)methylamino]-N-propylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N-propylbenzamide is sourced from PubChem (CID 43675966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).