3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide

C17H19FN2O — CID 81348792

IUPAC3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
SMILESCc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-11-3-5-13(6-4-11)12(2)20-10-15-8-7-14(17(19)21)9-16(15)18/h3-9,12,20H,10H2,1-2H3,(H2,19,21)/t12-/m1/s1
InChIKeyRDFUOZCTWVLTFS-GFCCVEGCSA-N
MW286.35 g/mol
LogP3.08
Rot. Bonds5

About 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide

3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide (PubChem CID 81348792) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
PubChem CID81348792
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
SMILESCc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2F)cc1
InChIInChI=1S/C17H19FN2O/c1-11-3-5-13(6-4-11)12(2)20-10-15-8-7-14(17(19)21)9-16(15)18/h3-9,12,20H,10H2,1-2H3,(H2,19,21)/t12-/m1/s1
InChIKeyRDFUOZCTWVLTFS-GFCCVEGCSA-N
XLogP3.08
TPSA55.12 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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]benzamide
CID 61474435
3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 102664284
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-3-fluorobenzamide
CID 81375322
2-[(4-carbamoyl-2-fluorophenyl)methylamino]-3-methylbutanoic acid
CID 43468217
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
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
3-fluoro-4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63011266
3-methyl-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]benzamide
CID 104930103
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256
3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
CID 62118950
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide (CID 81348792) is 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide is Cc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide?
The InChIKey is RDFUOZCTWVLTFS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-11-3-5-13(6-4-11)12(2)20-10-15-8-7-14(17(19)21)9-16(15)18/h3-9,12,20H,10H2,1-2H3,(H2,19,21)/t12-/m1/s1.
What are the key properties of 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide?
3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide is sourced from PubChem (CID 81348792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).