2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride

C8H7Cl3F3NO — CID 22563834

IUPAC2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H5ClF3NO.2ClH/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14;;/h1-3H,(H2,13,14);2*1H
InChIKeyNGJVUORQXSKBRA-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.30
Rot. Bonds1

About 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride

2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride (PubChem CID 22563834) has the molecular formula C8H7Cl3F3NO and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
PubChem CID22563834
Molecular FormulaC8H7Cl3F3NO
Molecular Weight296.50 g/mol
Exact Mass294.95
IUPAC Name2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H5ClF3NO.2ClH/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14;;/h1-3H,(H2,13,14);2*1H
InChIKeyNGJVUORQXSKBRA-UHFFFAOYSA-N
XLogP3.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanone
CID 2783183
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
[2-chloro-5-(trifluoromethyl)benzoyl]-methyl-methylideneazanium
CID 91608727
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 39997581
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 153354866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride?
The IUPAC name of 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride (CID 22563834) is 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride is Cl.Cl.NC(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride?
The InChIKey is NGJVUORQXSKBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO.2ClH/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14;;/h1-3H,(H2,13,14);2*1H.
What are the key properties of 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride?
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride has a molecular weight of 296.50 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride is sourced from PubChem (CID 22563834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).