4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide

C15H11F4NO2 — CID 25176086

IUPAC4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F4NO2/c1-22-11-4-2-3-10(8-11)20-14(21)9-5-6-13(16)12(7-9)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyCHKPRWOOTQBNPX-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.11
Rot. Bonds3

About 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide

4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 25176086) has the molecular formula C15H11F4NO2 and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide
PubChem CID25176086
Molecular FormulaC15H11F4NO2
Molecular Weight313.25 g/mol
Exact Mass313.07
IUPAC Name4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F4NO2/c1-22-11-4-2-3-10(8-11)20-14(21)9-5-6-13(16)12(7-9)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyCHKPRWOOTQBNPX-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide (CID 25176086) is 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide is COc1cccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is CHKPRWOOTQBNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO2/c1-22-11-4-2-3-10(8-11)20-14(21)9-5-6-13(16)12(7-9)15(17,18)19/h2-8H,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide?
4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 313.25 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methoxyphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 25176086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).