3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide

C21H14F4N2O3 — CID 154700274

IUPAC3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(F)(F)F)c(C(N)=O)c2Oc2ccc(F)cc2)c1
InChIInChI=1S/C21H14F4N2O3/c22-13-4-6-14(7-5-13)30-18-15(11-2-1-3-12(10-11)19(26)28)8-9-16(21(23,24)25)17(18)20(27)29/h1-10H,(H2,26,28)(H2,27,29)
InChIKeyQUWUXTAKBXUUJE-UHFFFAOYSA-N
MW418.35 g/mol
LogP4.50
Rot. Bonds5

About 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide

3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide (PubChem CID 154700274) has the molecular formula C21H14F4N2O3 and a molecular weight of 418.35 g/mol. Its IUPAC name is 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide
PubChem CID154700274
Molecular FormulaC21H14F4N2O3
Molecular Weight418.35 g/mol
Exact Mass418.09
IUPAC Name3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(F)(F)F)c(C(N)=O)c2Oc2ccc(F)cc2)c1
InChIInChI=1S/C21H14F4N2O3/c22-13-4-6-14(7-5-13)30-18-15(11-2-1-3-12(10-11)19(26)28)8-9-16(21(23,24)25)17(18)20(27)29/h1-10H,(H2,26,28)(H2,27,29)
InChIKeyQUWUXTAKBXUUJE-UHFFFAOYSA-N
XLogP4.50
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.35
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide?
The IUPAC name of 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide (CID 154700274) is 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide is NC(=O)c1cccc(-c2ccc(C(F)(F)F)c(C(N)=O)c2Oc2ccc(F)cc2)c1.
What is the InChIKey of 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide?
The InChIKey is QUWUXTAKBXUUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O3/c22-13-4-6-14(7-5-13)30-18-15(11-2-1-3-12(10-11)19(26)28)8-9-16(21(23,24)25)17(18)20(27)29/h1-10H,(H2,26,28)(H2,27,29).
What are the key properties of 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide?
3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide has a molecular weight of 418.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 154700274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).