3-(trifluoromethoxy)benzamide

C8H6F3NO2 — CID 522189

IUPAC3-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
InChIKeyRRANUIMYSXUNCN-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.68
Rot. Bonds2

About 3-(trifluoromethoxy)benzamide

3-(trifluoromethoxy)benzamide (PubChem CID 522189) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is 3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-(trifluoromethoxy)benzamide
PubChem CID522189
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name3-(trifluoromethoxy)benzamide
SMILESNC(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO2/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
InChIKeyRRANUIMYSXUNCN-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxybenzamide
CID 98487
4-Methoxybenzamide
CID 76959
3-Hydroxybenzamide
CID 342403
3,4-Dimethoxybenzamide
CID 73705
1-Benzoyl-2-(3-methoxybenzoyl)hydrazine
CID 252264
m-Anisohydrazide
CID 79848
3-(4-Carbamoylphenoxy)benzamide
CID 69845715
N'-(4,4,5,5,6,6,6-heptafluoro-1-methyl-3-oxo-1-hexenyl)-3-methoxybenzohydrazide
CID 5753962
3,5-Dimethoxybenzamide
CID 72878
3-Ethoxybenzamide
CID 108775
Benzamide, 4-(trifluoromethoxy)-
CID 68013
2,6-Bis(fluoranyl)-3-[[3-(trifluoromethyl)phenyl]methoxy]benzamide
CID 156022394

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)benzamide?
The IUPAC name of 3-(trifluoromethoxy)benzamide (CID 522189) is 3-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-(trifluoromethoxy)benzamide is NC(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethoxy)benzamide?
The InChIKey is RRANUIMYSXUNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13).
What are the key properties of 3-(trifluoromethoxy)benzamide?
3-(trifluoromethoxy)benzamide has a molecular weight of 205.14 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 522189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).