N-cyano-3,4-difluorobenzamide

C8H4F2N2O — CID 79195155

IUPACN-cyano-3,4-difluorobenzamide
SMILESN#CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H4F2N2O/c9-6-2-1-5(3-7(6)10)8(13)12-4-11/h1-3H,(H,12,13)
InChIKeyRSZSETYPECQAOD-UHFFFAOYSA-N
MW182.13 g/mol
LogP1.18
Rot. Bonds1

About N-cyano-3,4-difluorobenzamide

N-cyano-3,4-difluorobenzamide (PubChem CID 79195155) has the molecular formula C8H4F2N2O and a molecular weight of 182.13 g/mol. Its IUPAC name is N-cyano-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-cyano-3,4-difluorobenzamide
PubChem CID79195155
Molecular FormulaC8H4F2N2O
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC NameN-cyano-3,4-difluorobenzamide
SMILESN#CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C8H4F2N2O/c9-6-2-1-5(3-7(6)10)8(13)12-4-11/h1-3H,(H,12,13)
InChIKeyRSZSETYPECQAOD-UHFFFAOYSA-N
XLogP1.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-3,4-difluorobenzamide 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

N-cyano-3,4,5-trifluorobenzamide
CID 79194594
N-(1-cyanoethyl)-3,4-difluorobenzamide
CID 61119063
3-chloro-N-cyano-4-methylbenzamide
CID 79194482
N-(4-cyanobutyl)-3,4-difluorobenzamide
CID 63284826
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
N-[cyano(cyclopropyl)methyl]-3,4-difluorobenzamide
CID 63821791
N-(1-cyano-3-methylbutyl)-3,4-difluorobenzamide
CID 82131693
N-cyano-3-methylbenzamide
CID 79195079
3-cyano-4-fluorobenzohydrazide
CID 59234832
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
3,4-difluoro-N-(3-oxobutan-2-yl)benzamide
CID 64996859

Frequently Asked Questions

What is the IUPAC name of N-cyano-3,4-difluorobenzamide?
The IUPAC name of N-cyano-3,4-difluorobenzamide (CID 79195155) is N-cyano-3,4-difluorobenzamide.
What is the SMILES notation for N-cyano-3,4-difluorobenzamide?
The canonical SMILES for N-cyano-3,4-difluorobenzamide is N#CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-cyano-3,4-difluorobenzamide?
The InChIKey is RSZSETYPECQAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O/c9-6-2-1-5(3-7(6)10)8(13)12-4-11/h1-3H,(H,12,13).
What are the key properties of N-cyano-3,4-difluorobenzamide?
N-cyano-3,4-difluorobenzamide has a molecular weight of 182.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3,4-difluorobenzamide is sourced from PubChem (CID 79195155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).