N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide

C18H17F4NO2 — CID 90599146

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
SMILESCOC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C18H17F4NO2/c1-17(25-2,14-5-3-4-6-15(14)19)11-23-16(24)12-7-9-13(10-8-12)18(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeySUHGWDDQPUPQEA-UHFFFAOYSA-N
MW355.33 g/mol
LogP4.14
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide (PubChem CID 90599146) has the molecular formula C18H17F4NO2 and a molecular weight of 355.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
PubChem CID90599146
Molecular FormulaC18H17F4NO2
Molecular Weight355.33 g/mol
Exact Mass355.12
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide
SMILESCOC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C18H17F4NO2/c1-17(25-2,14-5-3-4-6-15(14)19)11-23-16(24)12-7-9-13(10-8-12)18(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeySUHGWDDQPUPQEA-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 90599067
N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 97428425
2-chloro-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]benzamide
CID 97428331
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71810626
N-[2-(2-fluorophenyl)-2-methoxypropyl]naphthalene-1-carboxamide
CID 90599111
4-chloro-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-nitrobenzamide
CID 90599164
ethyl N-[2-(2-fluorophenyl)-2-methoxypropyl]carbamate
CID 71810594
N-[2-(2-fluorophenyl)-2-methoxypropyl]-N'-propan-2-yloxamide
CID 90599312
2-ethoxy-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 97428304
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
2-(3,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methoxypropyl]acetamide
CID 90599157
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599092

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide (CID 90599146) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide is COC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SUHGWDDQPUPQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4NO2/c1-17(25-2,14-5-3-4-6-15(14)19)11-23-16(24)12-7-9-13(10-8-12)18(20,21)22/h3-10H,11H2,1-2H3,(H,23,24).
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide has a molecular weight of 355.33 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90599146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).