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

C8H7Cl3F3NO — CID 22563807

IUPAC4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO.2ClH/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12;;/h1-3H,(H2,13,14);2*1H
InChIKeyPIAGDEQPRKYOOO-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.30
Rot. Bonds1

About 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride

4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride (PubChem CID 22563807) has the molecular formula C8H7Cl3F3NO and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
PubChem CID22563807
Molecular FormulaC8H7Cl3F3NO
Molecular Weight296.50 g/mol
Exact Mass294.95
IUPAC Name4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF3NO.2ClH/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12;;/h1-3H,(H2,13,14);2*1H
InChIKeyPIAGDEQPRKYOOO-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

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1-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxypropan-1-one
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2-[4-carbamoyl-3-(trifluoromethyl)anilino]acetic acid
CID 43320600
4-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
(2-carbamoylphenyl) 4-chloro-2-(trifluoromethyl)benzenesulfonate
CID 7938264
2,4-bis(trifluoromethyl)benzamide;(E)-2-(3-chlorophenyl)ethenesulfonic acid
CID 87831752
2-carbamoyl-5-chlorobenzoic acid
CID 57087443
4-[2-aminoethyl(ethyl)amino]-2-(trifluoromethyl)benzamide
CID 114900716
2-chloro-3-(trifluoromethyl)benzamide
CID 3861109
4-amino-5-fluoro-2-(trifluoromethyl)benzamide
CID 118823151
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
4-[fluoro(methoxy)methyl]-2-(trifluoromethyl)benzamide
CID 90980774

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride?
The IUPAC name of 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride (CID 22563807) is 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride is Cl.Cl.NC(=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride?
The InChIKey is PIAGDEQPRKYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO.2ClH/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12;;/h1-3H,(H2,13,14);2*1H.
What are the key properties of 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride?
4-chloro-2-(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 4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride is sourced from PubChem (CID 22563807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).