2-cyano-5-methoxy-3-(trifluoromethyl)benzamide

C10H7F3N2O2 — CID 171031275

IUPAC2-cyano-5-methoxy-3-(trifluoromethyl)benzamide
SMILESCOc1cc(C(N)=O)c(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N2O2/c1-17-5-2-6(9(15)16)7(4-14)8(3-5)10(11,12)13/h2-3H,1H3,(H2,15,16)
InChIKeyXKYBKLWBAUVHQM-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.68
Rot. Bonds2

About 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide

2-cyano-5-methoxy-3-(trifluoromethyl)benzamide (PubChem CID 171031275) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-cyano-5-methoxy-3-(trifluoromethyl)benzamide
PubChem CID171031275
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name2-cyano-5-methoxy-3-(trifluoromethyl)benzamide
SMILESCOc1cc(C(N)=O)c(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C10H7F3N2O2/c1-17-5-2-6(9(15)16)7(4-14)8(3-5)10(11,12)13/h2-3H,1H3,(H2,15,16)
InChIKeyXKYBKLWBAUVHQM-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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Related Compounds

2-cyano-5-methyl-3-(trifluoromethyl)benzamide
CID 171031445
5-methoxy-2,3-bis(trifluoromethyl)benzamide
CID 118854542
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84796758
3-cyano-2-fluoro-4-(trifluoromethyl)benzamide
CID 171015886
2-acetyl-6-fluoro-4-methoxybenzonitrile
CID 131604971
1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 119022399
ethyl 2-cyano-5-hydroxy-3-(trifluoromethyl)benzoate
CID 134644801
3-cyano-2-formyl-5-methoxybenzamide
CID 171013166
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477
2-cyano-5-iodo-3-methoxybenzamide
CID 171025537

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide (CID 171031275) is 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide is COc1cc(C(N)=O)c(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide?
The InChIKey is XKYBKLWBAUVHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-5-2-6(9(15)16)7(4-14)8(3-5)10(11,12)13/h2-3H,1H3,(H2,15,16).
What are the key properties of 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide?
2-cyano-5-methoxy-3-(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 2-cyano-5-methoxy-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171031275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).