2-cyano-6-methoxy-4-(trifluoromethyl)benzamide

C10H7F3N2O2 — CID 171031277

IUPAC2-cyano-6-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C#N)c1C(N)=O
InChIInChI=1S/C10H7F3N2O2/c1-17-7-3-6(10(11,12)13)2-5(4-14)8(7)9(15)16/h2-3H,1H3,(H2,15,16)
InChIKeyPVDZYRMWDWQFSO-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.68
Rot. Bonds2

About 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide

2-cyano-6-methoxy-4-(trifluoromethyl)benzamide (PubChem CID 171031277) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-cyano-6-methoxy-4-(trifluoromethyl)benzamide
PubChem CID171031277
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name2-cyano-6-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)cc(C#N)c1C(N)=O
InChIInChI=1S/C10H7F3N2O2/c1-17-7-3-6(10(11,12)13)2-5(4-14)8(7)9(15)16/h2-3H,1H3,(H2,15,16)
InChIKeyPVDZYRMWDWQFSO-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

Analyze 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
ethyl 2-cyano-6-hydroxy-4-(trifluoromethyl)benzoate
CID 134643116
2-(chloromethyl)-3-methoxy-5-(trifluoromethyl)benzonitrile
CID 171024120
methyl 2-[2-cyano-4-(trifluoromethyl)anilino]propanoate
CID 61497788
2-methoxy-4-(trifluoromethyl)benzonitrile
CID 19001376
2-methoxy-6-phenylmethoxy-4-(trifluoromethyl)benzamide
CID 58062859
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
6-cyano-2-iodo-3-methoxybenzamide
CID 171025340
5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzonitrile
CID 117319407
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
methyl 3-cyano-2-formyl-5-(trifluoromethyl)benzoate
CID 134647393

Frequently Asked Questions

What is the IUPAC name of 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide (CID 171031277) is 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)cc(C#N)c1C(N)=O.
What is the InChIKey of 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide?
The InChIKey is PVDZYRMWDWQFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-7-3-6(10(11,12)13)2-5(4-14)8(7)9(15)16/h2-3H,1H3,(H2,15,16).
What are the key properties of 2-cyano-6-methoxy-4-(trifluoromethyl)benzamide?
2-cyano-6-methoxy-4-(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-6-methoxy-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 171031277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).