6-cyano-3-methoxy-2-(trifluoromethyl)benzamide

C10H7F3N2O2 — CID 171026827

IUPAC6-cyano-3-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(C#N)c(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c1-17-6-3-2-5(4-14)7(9(15)16)8(6)10(11,12)13/h2-3H,1H3,(H2,15,16)
InChIKeyQDQSMSIBKXGRRX-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.68
Rot. Bonds2

About 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide

6-cyano-3-methoxy-2-(trifluoromethyl)benzamide (PubChem CID 171026827) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name6-cyano-3-methoxy-2-(trifluoromethyl)benzamide
PubChem CID171026827
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name6-cyano-3-methoxy-2-(trifluoromethyl)benzamide
SMILESCOc1ccc(C#N)c(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c1-17-6-3-2-5(4-14)7(9(15)16)8(6)10(11,12)13/h2-3H,1H3,(H2,15,16)
InChIKeyQDQSMSIBKXGRRX-UHFFFAOYSA-N
XLogP1.68
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide?
The IUPAC name of 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide (CID 171026827) is 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide is COc1ccc(C#N)c(C(N)=O)c1C(F)(F)F.
What is the InChIKey of 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide?
The InChIKey is QDQSMSIBKXGRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-6-3-2-5(4-14)7(9(15)16)8(6)10(11,12)13/h2-3H,1H3,(H2,15,16).
What are the key properties of 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide?
6-cyano-3-methoxy-2-(trifluoromethyl)benzamide has a molecular weight of 244.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-methoxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 171026827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).