4-chloro-2-methyl-6-(trifluoromethyl)benzamide

C9H7ClF3NO — CID 171004117

IUPAC4-chloro-2-methyl-6-(trifluoromethyl)benzamide
SMILESCc1cc(Cl)cc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C9H7ClF3NO/c1-4-2-5(10)3-6(9(11,12)13)7(4)8(14)15/h2-3H,1H3,(H2,14,15)
InChIKeyMQKAWDPTLYDGIV-UHFFFAOYSA-N
MW237.61 g/mol
LogP2.77
Rot. Bonds1

About 4-chloro-2-methyl-6-(trifluoromethyl)benzamide

4-chloro-2-methyl-6-(trifluoromethyl)benzamide (PubChem CID 171004117) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-6-(trifluoromethyl)benzamide
PubChem CID171004117
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC Name4-chloro-2-methyl-6-(trifluoromethyl)benzamide
SMILESCc1cc(Cl)cc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C9H7ClF3NO/c1-4-2-5(10)3-6(9(11,12)13)7(4)8(14)15/h2-3H,1H3,(H2,14,15)
InChIKeyMQKAWDPTLYDGIV-UHFFFAOYSA-N
XLogP2.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-bromo-4-chloro-6-(trifluoromethyl)benzoate
CID 164891172
5-chloro-1-N,3-dimethylbenzene-1,2-dicarboxamide
CID 69135930
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
4-chloro-2,6-difluorobenzamide
CID 22478130
5-chloro-2-methyl-3-(trifluoromethyl)aniline
CID 130983523
2-formyl-6-methyl-4-(trifluoromethyl)benzamide
CID 171015102
2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 141180792
4-chloro-2-cyano-6-(trifluoromethyl)benzoic acid
CID 118828419
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
2,4,6-tris(trifluoromethyl)pyridine-3-carboxamide
CID 141497618
[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 60704273

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-2-methyl-6-(trifluoromethyl)benzamide (CID 171004117) is 4-chloro-2-methyl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-2-methyl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-2-methyl-6-(trifluoromethyl)benzamide is Cc1cc(Cl)cc(C(F)(F)F)c1C(N)=O.
What is the InChIKey of 4-chloro-2-methyl-6-(trifluoromethyl)benzamide?
The InChIKey is MQKAWDPTLYDGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c1-4-2-5(10)3-6(9(11,12)13)7(4)8(14)15/h2-3H,1H3,(H2,14,15).
What are the key properties of 4-chloro-2-methyl-6-(trifluoromethyl)benzamide?
4-chloro-2-methyl-6-(trifluoromethyl)benzamide has a molecular weight of 237.61 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 171004117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).