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

C10H5F3N2O2 — CID 171012009

IUPAC4-cyano-2-formyl-6-(trifluoromethyl)benzamide
SMILESN#Cc1cc(C=O)c(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)7-2-5(3-14)1-6(4-16)8(7)9(15)17/h1-2,4H,(H2,15,17)
InChIKeyLEVWOTXPFOAQLP-UHFFFAOYSA-N
MW242.16 g/mol
LogP1.49
Rot. Bonds2

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

4-cyano-2-formyl-6-(trifluoromethyl)benzamide (PubChem CID 171012009) has the molecular formula C10H5F3N2O2 and a molecular weight of 242.16 g/mol. Its IUPAC name is 4-cyano-2-formyl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyano-2-formyl-6-(trifluoromethyl)benzamide
PubChem CID171012009
Molecular FormulaC10H5F3N2O2
Molecular Weight242.16 g/mol
Exact Mass242.03
IUPAC Name4-cyano-2-formyl-6-(trifluoromethyl)benzamide
SMILESN#Cc1cc(C=O)c(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)7-2-5(3-14)1-6(4-16)8(7)9(15)17/h1-2,4H,(H2,15,17)
InChIKeyLEVWOTXPFOAQLP-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'}

Analyze 4-cyano-2-formyl-6-(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

ethyl 4-cyano-2-formyl-6-(trifluoromethyl)benzoate
CID 134641614
4-cyano-2-formyl-6-methoxybenzamide
CID 171012711
4-formyl-3,5-bis(trifluoromethyl)benzonitrile
CID 119014976
4-acetyl-3-iodo-5-(trifluoromethyl)benzonitrile
CID 171024784
4-acetyl-3-chloro-5-(trifluoromethyl)benzonitrile
CID 171008170
2-formyl-6-methyl-4-(trifluoromethyl)benzamide
CID 171015102
4-formyl-2,5-bis(trifluoromethyl)benzamide
CID 119008889
2-cyano-3-formyl-5-(trifluoromethyl)benzamide
CID 171011794
4-cyano-2-methoxy-6-(trifluoromethyl)benzoic acid
CID 118833498
4-acetyl-3-(difluoromethyl)-5-formylbenzonitrile
CID 171030947
4-acetyl-3-methoxy-5-(trifluoromethyl)benzonitrile
CID 171031262
4-(2-chloroacetyl)-3-methyl-5-(trifluoromethyl)benzonitrile
CID 170995788

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-formyl-6-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyano-2-formyl-6-(trifluoromethyl)benzamide (CID 171012009) is 4-cyano-2-formyl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyano-2-formyl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyano-2-formyl-6-(trifluoromethyl)benzamide is N#Cc1cc(C=O)c(C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 4-cyano-2-formyl-6-(trifluoromethyl)benzamide?
The InChIKey is LEVWOTXPFOAQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2/c11-10(12,13)7-2-5(3-14)1-6(4-16)8(7)9(15)17/h1-2,4H,(H2,15,17).
What are the key properties of 4-cyano-2-formyl-6-(trifluoromethyl)benzamide?
4-cyano-2-formyl-6-(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 4-cyano-2-formyl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 171012009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).