2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide

C19H22FNO2 — CID 134917856

IUPAC2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(F)Cc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13H2,1-2H3/t14-,17?,18+/m0/s1
InChIKeyBHRMCHGKVDCUOT-HXFVUSARSA-N
MW315.39 g/mol
LogP3.15
Rot. Bonds6

About 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide

2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (PubChem CID 134917856) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
PubChem CID134917856
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(F)Cc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13H2,1-2H3/t14-,17?,18+/m0/s1
InChIKeyBHRMCHGKVDCUOT-HXFVUSARSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinnamedrine
CID 5370611
1-Phenyl-2-decanoylamino-3-morpholino-1-propanol
CID 3129
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
DL-threo-PDMP
CID 11957678
(+/-)-Clausenamide
CID 5315946
Secoclausenamide
CID 10424832
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(1R,2R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide
CID 6610216

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide (CID 134917856) is 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C(F)Cc1ccccc1.
What is the InChIKey of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is BHRMCHGKVDCUOT-HXFVUSARSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-14(18(22)16-11-7-4-8-12-16)21(2)19(23)17(20)13-15-9-5-3-6-10-15/h3-12,14,17-18,22H,13H2,1-2H3/t14-,17?,18+/m0/s1.
What are the key properties of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide?
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 315.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 134917856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).