3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide

C17H19FN2O — CID 63011266

IUPAC3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
SMILESCC(Cc1ccccc1)NCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C17H19FN2O/c1-12(9-13-5-3-2-4-6-13)20-11-15-8-7-14(17(19)21)10-16(15)18/h2-8,10,12,20H,9,11H2,1H3,(H2,19,21)
InChIKeyWLWZFLYLZZQCHJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.65
Rot. Bonds6

About 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide

3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide (PubChem CID 63011266) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
PubChem CID63011266
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
SMILESCC(Cc1ccccc1)NCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C17H19FN2O/c1-12(9-13-5-3-2-4-6-13)20-11-15-8-7-14(17(19)21)10-16(15)18/h2-8,10,12,20H,9,11H2,1H3,(H2,19,21)
InChIKeyWLWZFLYLZZQCHJ-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
2-[(4-carbamoyl-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 43468217
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81348792
3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 65049143
3-fluoro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 43499793
3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
CID 62118950
2-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzoic acid
CID 106700029
3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
CID 61474435
N-[(4-fluoro-2-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63012959
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide?
The IUPAC name of 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide (CID 63011266) is 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide is CC(Cc1ccccc1)NCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide?
The InChIKey is WLWZFLYLZZQCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(9-13-5-3-2-4-6-13)20-11-15-8-7-14(17(19)21)10-16(15)18/h2-8,10,12,20H,9,11H2,1H3,(H2,19,21).
What are the key properties of 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide?
3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide has a molecular weight of 286.35 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide is sourced from PubChem (CID 63011266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).