4-hydroxy-2,3-bis(trifluoromethyl)benzamide

C9H5F6NO2 — CID 118854529

IUPAC4-hydroxy-2,3-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(O)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H5F6NO2/c10-8(11,12)5-3(7(16)18)1-2-4(17)6(5)9(13,14)15/h1-2,17H,(H2,16,18)
InChIKeyBTPAQIWNZNUNKH-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.53
Rot. Bonds1

About 4-hydroxy-2,3-bis(trifluoromethyl)benzamide

4-hydroxy-2,3-bis(trifluoromethyl)benzamide (PubChem CID 118854529) has the molecular formula C9H5F6NO2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-hydroxy-2,3-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-2,3-bis(trifluoromethyl)benzamide
PubChem CID118854529
Molecular FormulaC9H5F6NO2
Molecular Weight273.13 g/mol
Exact Mass273.02
IUPAC Name4-hydroxy-2,3-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(O)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H5F6NO2/c10-8(11,12)5-3(7(16)18)1-2-4(17)6(5)9(13,14)15/h1-2,17H,(H2,16,18)
InChIKeyBTPAQIWNZNUNKH-UHFFFAOYSA-N
XLogP2.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-hydroxy-2,3-bis(trifluoromethyl)benzoate
CID 134639084
3-hydroxy-2,6-bis(trifluoromethyl)benzamide
CID 118997009
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
3-fluoro-2-(trifluoromethyl)benzamide
CID 2774778
3-cyano-4-fluoro-2-(trifluoromethyl)benzamide
CID 171015989
3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide
CID 174876774
2-bromo-4-iodo-3-(trifluoromethyl)benzamide
CID 171002470
4-iodo-3-nitro-2-(trifluoromethyl)benzamide
CID 171018537
3-ethenyl-2-(trifluoromethyl)benzamide
CID 142796144
2,3-diamino-4-hydroxybenzamide
CID 70024037
4-amino-2-ethyl-3-(trifluoromethyl)benzamide
CID 174774948
3-nitro-2-(trifluoromethyl)benzamide
CID 131870243

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-bis(trifluoromethyl)benzamide?
The IUPAC name of 4-hydroxy-2,3-bis(trifluoromethyl)benzamide (CID 118854529) is 4-hydroxy-2,3-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 4-hydroxy-2,3-bis(trifluoromethyl)benzamide?
The canonical SMILES for 4-hydroxy-2,3-bis(trifluoromethyl)benzamide is NC(=O)c1ccc(O)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-hydroxy-2,3-bis(trifluoromethyl)benzamide?
The InChIKey is BTPAQIWNZNUNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO2/c10-8(11,12)5-3(7(16)18)1-2-4(17)6(5)9(13,14)15/h1-2,17H,(H2,16,18).
What are the key properties of 4-hydroxy-2,3-bis(trifluoromethyl)benzamide?
4-hydroxy-2,3-bis(trifluoromethyl)benzamide has a molecular weight of 273.13 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 118854529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).