2-chloro-3-(trifluoromethyl)benzamide

C8H5ClF3NO — CID 3861109

IUPAC2-chloro-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H5ClF3NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H2,13,14)
InChIKeyHHXSRPAINZKJQZ-UHFFFAOYSA-N
MW223.58 g/mol
LogP2.46
Rot. Bonds1

About 2-chloro-3-(trifluoromethyl)benzamide

2-chloro-3-(trifluoromethyl)benzamide (PubChem CID 3861109) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is 2-chloro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-3-(trifluoromethyl)benzamide
PubChem CID3861109
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC Name2-chloro-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H5ClF3NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H2,13,14)
InChIKeyHHXSRPAINZKJQZ-UHFFFAOYSA-N
XLogP2.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-3-(trifluoromethyl)benzamide;hydrochloride
CID 141021225
chloro hypochlorite;copper;2-(trifluoromethyl)benzamide
CID 159662780
2-bromo-1-[2-chloro-3-(trifluoromethyl)phenyl]propan-1-one
CID 134619070
2-chloro-3-sulfanylbenzamide
CID 118238415
2-(hydrazinecarbonyl)-3-(trifluoromethyl)benzamide
CID 70608847
2,3-dichlorobenzamide;hydron
CID 69226563
2-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-difluoroacetic acid
CID 171591321
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
[2-carbamoyl-6-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 142933924
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 164892562
2-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 144717479
[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 174965122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-3-(trifluoromethyl)benzamide (CID 3861109) is 2-chloro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-3-(trifluoromethyl)benzamide is NC(=O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-3-(trifluoromethyl)benzamide?
The InChIKey is HHXSRPAINZKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H2,13,14).
What are the key properties of 2-chloro-3-(trifluoromethyl)benzamide?
2-chloro-3-(trifluoromethyl)benzamide has a molecular weight of 223.58 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3861109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).