(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide

C17H19FN2O — CID 8516170

IUPAC(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-13(17(21)19-16-9-4-3-5-10-16)20(2)12-14-7-6-8-15(18)11-14/h3-11,13H,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyBSNMPEYBHQKSLO-ZDUSSCGKSA-N
MW286.35 g/mol
LogP3.28
Rot. Bonds5

About (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide

(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide (PubChem CID 8516170) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
PubChem CID8516170
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N(C)Cc1cccc(F)c1
InChIInChI=1S/C17H19FN2O/c1-13(17(21)19-16-9-4-3-5-10-16)20(2)12-14-7-6-8-15(18)11-14/h3-11,13H,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyBSNMPEYBHQKSLO-ZDUSSCGKSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193
2-[(3-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 47007628
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
2-[(3-fluorophenyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787801
(2S)-2-[benzyl(methyl)amino]-N-(2,6-difluorophenyl)propanamide
CID 9274676
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094165
(2R)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-phenylpropanamide
CID 95332151
(2S)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-phenylpropanamide
CID 7995629
2-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 17405256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide (CID 8516170) is (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide is C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1cccc(F)c1.
What is the InChIKey of (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide?
The InChIKey is BSNMPEYBHQKSLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-13(17(21)19-16-9-4-3-5-10-16)20(2)12-14-7-6-8-15(18)11-14/h3-11,13H,12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide?
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide is sourced from PubChem (CID 8516170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).