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

C10H5F3N2O2 — CID 171011794

IUPAC2-cyano-3-formyl-5-(trifluoromethyl)benzamide
SMILESN#Cc1c(C=O)cc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)6-1-5(4-16)8(3-14)7(2-6)9(15)17/h1-2,4H,(H2,15,17)
InChIKeyPPOSEPYSGWKZHS-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.49
Rot. Bonds2

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

2-cyano-3-formyl-5-(trifluoromethyl)benzamide (PubChem CID 171011794) has the molecular formula C10H5F3N2O2 and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-cyano-3-formyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-cyano-3-formyl-5-(trifluoromethyl)benzamide
PubChem CID171011794
Molecular FormulaC10H5F3N2O2
Molecular Weight242.16 g/mol
Exact Mass242.03
IUPAC Name2-cyano-3-formyl-5-(trifluoromethyl)benzamide
SMILESN#Cc1c(C=O)cc(C(F)(F)F)cc1C(N)=O
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)6-1-5(4-16)8(3-14)7(2-6)9(15)17/h1-2,4H,(H2,15,17)
InChIKeyPPOSEPYSGWKZHS-UHFFFAOYSA-N
XLogP1.49
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-formyl-2,5-bis(trifluoromethyl)benzamide
CID 134638769
2-cyano-4-formyl-3-(trifluoromethyl)benzamide
CID 171011932
2-formyl-6-methyl-4-(trifluoromethyl)benzamide
CID 171015102
2-cyano-5-methyl-3-(trifluoromethyl)benzamide
CID 171031445
2-acetyl-4-fluoro-6-formylbenzonitrile
CID 171031151
4-formyl-2,5-bis(trifluoromethyl)benzamide
CID 119008889
4-cyano-2-formyl-6-(trifluoromethyl)benzamide
CID 171012009
4-cyano-5-fluoro-2-formylbenzamide
CID 171015999
2-cyano-5-methoxy-3-(trifluoromethyl)benzamide
CID 171031275
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212
3-cyano-2-fluoro-4-(trifluoromethyl)benzamide
CID 171015886
methyl 3-cyano-2-formyl-5-(trifluoromethyl)benzoate
CID 134647393

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-formyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-cyano-3-formyl-5-(trifluoromethyl)benzamide (CID 171011794) is 2-cyano-3-formyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-cyano-3-formyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-cyano-3-formyl-5-(trifluoromethyl)benzamide is N#Cc1c(C=O)cc(C(F)(F)F)cc1C(N)=O.
What is the InChIKey of 2-cyano-3-formyl-5-(trifluoromethyl)benzamide?
The InChIKey is PPOSEPYSGWKZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2/c11-10(12,13)6-1-5(4-16)8(3-14)7(2-6)9(15)17/h1-2,4H,(H2,15,17).
What are the key properties of 2-cyano-3-formyl-5-(trifluoromethyl)benzamide?
2-cyano-3-formyl-5-(trifluoromethyl)benzamide has a molecular weight of 242.16 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-formyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 171011794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).