3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide

C14H6F4N2O — CID 103600288

IUPAC3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C14H6F4N2O/c15-9-5-10(16)12(18)13(11(9)17)20-14(21)8-3-1-2-7(4-8)6-19/h1-5H,(H,20,21)
InChIKeyWOTJIVLGFHEWRS-UHFFFAOYSA-N
MW294.21 g/mol
LogP3.37
Rot. Bonds2

About 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide

3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide (PubChem CID 103600288) has the molecular formula C14H6F4N2O and a molecular weight of 294.21 g/mol. Its IUPAC name is 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
PubChem CID103600288
Molecular FormulaC14H6F4N2O
Molecular Weight294.21 g/mol
Exact Mass294.04
IUPAC Name3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C14H6F4N2O/c15-9-5-10(16)12(18)13(11(9)17)20-14(21)8-3-1-2-7(4-8)6-19/h1-5H,(H,20,21)
InChIKeyWOTJIVLGFHEWRS-UHFFFAOYSA-N
XLogP3.37
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-3-cyanobenzamide
CID 43090996
3-cyano-N-(2,6-dichlorophenyl)benzamide
CID 43386585
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838350
3-cyano-N-(2-iodophenyl)benzamide
CID 7900624
5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 10448085
N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
CID 43548048
3-cyano-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122302755
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
3-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644811
1-[(3-cyanobenzoyl)amino]-3-(2-fluorophenyl)thiourea
CID 9468862

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The IUPAC name of 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide (CID 103600288) is 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide.
What is the SMILES notation for 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The canonical SMILES for 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide is N#Cc1cccc(C(=O)Nc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide?
The InChIKey is WOTJIVLGFHEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F4N2O/c15-9-5-10(16)12(18)13(11(9)17)20-14(21)8-3-1-2-7(4-8)6-19/h1-5H,(H,20,21).
What are the key properties of 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide?
3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide has a molecular weight of 294.21 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2,3,5,6-tetrafluorophenyl)benzamide is sourced from PubChem (CID 103600288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).