N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C20H21F4NO2 — CID 97428425

IUPACN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCO[C@](C)(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C20H21F4NO2/c1-19(27-2,16-5-3-4-6-17(16)21)13-25-18(26)12-9-14-7-10-15(11-8-14)20(22,23)24/h3-8,10-11H,9,12-13H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyJDCODNNHWUQHBG-LJQANCHMSA-N
MW383.39 g/mol
LogP4.46
Rot. Bonds7

About N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 97428425) has the molecular formula C20H21F4NO2 and a molecular weight of 383.39 g/mol. Its IUPAC name is N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID97428425
Molecular FormulaC20H21F4NO2
Molecular Weight383.39 g/mol
Exact Mass383.15
IUPAC NameN-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCO[C@](C)(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C20H21F4NO2/c1-19(27-2,16-5-3-4-6-17(16)21)13-25-18(26)12-9-14-7-10-15(11-8-14)20(22,23)24/h3-8,10-11H,9,12-13H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyJDCODNNHWUQHBG-LJQANCHMSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide 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

N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
CID 90599146
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 97428539
1-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[(4-fluorophenyl)methyl]urea
CID 97428533
3-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]propanamide
CID 90599087
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 95987114
2-cyclohexyl-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599072
4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 97428425) is N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is CO[C@](C)(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JDCODNNHWUQHBG-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21F4NO2/c1-19(27-2,16-5-3-4-6-17(16)21)13-25-18(26)12-9-14-7-10-15(11-8-14)20(22,23)24/h3-8,10-11H,9,12-13H2,1-2H3,(H,25,26)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 383.39 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97428425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).