4-chloro-5-methoxy-2-(trifluoromethyl)benzamide

C9H7ClF3NO2 — CID 171008127

IUPAC4-chloro-5-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1cc(C(N)=O)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO2/c1-16-7-2-4(8(14)15)5(3-6(7)10)9(11,12)13/h2-3H,1H3,(H2,14,15)
InChIKeyQQAVILFWGOFBPC-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.47
Rot. Bonds2

About 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide

4-chloro-5-methoxy-2-(trifluoromethyl)benzamide (PubChem CID 171008127) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(trifluoromethyl)benzamide
PubChem CID171008127
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Name4-chloro-5-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1cc(C(N)=O)c(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H7ClF3NO2/c1-16-7-2-4(8(14)15)5(3-6(7)10)9(11,12)13/h2-3H,1H3,(H2,14,15)
InChIKeyQQAVILFWGOFBPC-UHFFFAOYSA-N
XLogP2.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide (CID 171008127) is 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide is COc1cc(C(N)=O)c(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide?
The InChIKey is QQAVILFWGOFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-16-7-2-4(8(14)15)5(3-6(7)10)9(11,12)13/h2-3H,1H3,(H2,14,15).
What are the key properties of 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide?
4-chloro-5-methoxy-2-(trifluoromethyl)benzamide has a molecular weight of 253.61 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 171008127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).