(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide

C21H20FNO — CID 97020341

IUPAC(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide
SMILESC[C@@H](Cc1cccc(F)c1)C(=O)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H20FNO/c1-15(12-16-6-5-9-19(22)13-16)21(24)23(2)20-11-10-17-7-3-4-8-18(17)14-20/h3-11,13-15H,12H2,1-2H3/t15-/m0/s1
InChIKeyYSLBLPYHEAOIAK-HNNXBMFYSA-N
MW321.40 g/mol
LogP4.82
Rot. Bonds4

About (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide

(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide (PubChem CID 97020341) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide
PubChem CID97020341
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC Name(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide
SMILESC[C@@H](Cc1cccc(F)c1)C(=O)N(C)c1ccc2ccccc2c1
InChIInChI=1S/C21H20FNO/c1-15(12-16-6-5-9-19(22)13-16)21(24)23(2)20-11-10-17-7-3-4-8-18(17)14-20/h3-11,13-15H,12H2,1-2H3/t15-/m0/s1
InChIKeyYSLBLPYHEAOIAK-HNNXBMFYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide 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

(2S)-3-(3,5-difluorophenyl)-N-(3,4-dimethylphenyl)-N,2-dimethylpropanamide
CID 145175354
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
(2S)-3-(3,5-difluorophenyl)-N-(4-methoxyphenyl)-N-methyl-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 175228171
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide
CID 119659701
3-(3-fluorophenyl)-N,2-dimethyl-N-piperidin-4-ylpropanamide
CID 119443185
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-methyl-N-phenylpropanamide
CID 95599553
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride
CID 119659700
5-amino-N-(3-fluorophenyl)-N,2-dimethylpentanamide
CID 113440979
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552777
3-[[3-(3-fluorophenyl)-2-methylpropanoyl]-(2-methylpropyl)amino]propanoic acid
CID 119190319

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide (CID 97020341) is (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide is C[C@@H](Cc1cccc(F)c1)C(=O)N(C)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide?
The InChIKey is YSLBLPYHEAOIAK-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-15(12-16-6-5-9-19(22)13-16)21(24)23(2)20-11-10-17-7-3-4-8-18(17)14-20/h3-11,13-15H,12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide?
(2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide has a molecular weight of 321.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-fluorophenyl)-N,2-dimethyl-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 97020341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).