3,4-bis(trifluoromethyl)benzamide;hydrochloride

C9H6ClF6NO — CID 174566583

IUPAC3,4-bis(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H5F6NO.ClH/c10-8(11,12)5-2-1-4(7(16)17)3-6(5)9(13,14)15;/h1-3H,(H2,16,17);1H
InChIKeyALBPWKXSWNPOMW-UHFFFAOYSA-N
MW293.59 g/mol
LogP3.24
Rot. Bonds1

About 3,4-bis(trifluoromethyl)benzamide;hydrochloride

3,4-bis(trifluoromethyl)benzamide;hydrochloride (PubChem CID 174566583) has the molecular formula C9H6ClF6NO and a molecular weight of 293.59 g/mol. Its IUPAC name is 3,4-bis(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3,4-bis(trifluoromethyl)benzamide;hydrochloride
PubChem CID174566583
Molecular FormulaC9H6ClF6NO
Molecular Weight293.59 g/mol
Exact Mass293.00
IUPAC Name3,4-bis(trifluoromethyl)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H5F6NO.ClH/c10-8(11,12)5-2-1-4(7(16)17)3-6(5)9(13,14)15;/h1-3H,(H2,16,17);1H
InChIKeyALBPWKXSWNPOMW-UHFFFAOYSA-N
XLogP3.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-4-(trifluoromethyl)benzamide
CID 70566293
4-cyano-3-(trifluoromethyl)benzamide
CID 22284887
4-(trifluoromethoxy)-3-(trifluoromethyl)benzamide
CID 170999511
1-[3,4-bis(trifluoromethyl)phenyl]-2-chloroethanone
CID 22137994
4-cycloheptyl-3-(trifluoromethyl)benzamide
CID 143924548
4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide
CID 143924571
4-[2-[4-carboxy-2-(trifluoromethyl)phenyl]propan-2-yl]-3-(trifluoromethyl)benzoic acid
CID 139971015
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
CID 68758850
2-[3,4-bis(trifluoromethyl)phenyl]acetamide
CID 87509957
1-[5-carbamoyl-2-(trifluoromethyl)phenyl]propane-2-sulfonic acid
CID 175256616
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
2-[4-carbamoyl-2-(trifluoromethyl)phenoxy]butanoic acid
CID 115467582

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 3,4-bis(trifluoromethyl)benzamide;hydrochloride (CID 174566583) is 3,4-bis(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 3,4-bis(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 3,4-bis(trifluoromethyl)benzamide;hydrochloride is Cl.NC(=O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 3,4-bis(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is ALBPWKXSWNPOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO.ClH/c10-8(11,12)5-2-1-4(7(16)17)3-6(5)9(13,14)15;/h1-3H,(H2,16,17);1H.
What are the key properties of 3,4-bis(trifluoromethyl)benzamide;hydrochloride?
3,4-bis(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 293.59 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 174566583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).