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

C17H19FN2O — CID 28802517

IUPAC(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-20(12-14-8-5-9-15(18)10-14)17(21)16(19)11-13-6-3-2-4-7-13/h2-10,16H,11-12,19H2,1H3/t16-/m0/s1
InChIKeyPTKAAFRRYCBMBN-INIZCTEOSA-N
MW286.35 g/mol
LogP2.35
Rot. Bonds5

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

(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 28802517) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID28802517
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H19FN2O/c1-20(12-14-8-5-9-15(18)10-14)17(21)16(19)11-13-6-3-2-4-7-13/h2-10,16H,11-12,19H2,1H3/t16-/m0/s1
InChIKeyPTKAAFRRYCBMBN-INIZCTEOSA-N
XLogP2.35
TPSA46.33 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 43211990
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methylhexanamide
CID 103830963
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
3-[(3-fluorophenyl)methyl-methylamino]-2-(methylamino)-3-oxopropanoic acid
CID 115189481
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide (CID 28802517) is (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide is CN(Cc1cccc(F)c1)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is PTKAAFRRYCBMBN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-20(12-14-8-5-9-15(18)10-14)17(21)16(19)11-13-6-3-2-4-7-13/h2-10,16H,11-12,19H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide?
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 28802517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).