3-cyano-4-fluorobenzamide

C8H5FN2O — CID 68505906

IUPAC3-cyano-4-fluorobenzamide
SMILESN#Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C8H5FN2O/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H2,11,12)
InChIKeyZDUVDNJBASJKTP-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.80
Rot. Bonds1

About 3-cyano-4-fluorobenzamide

3-cyano-4-fluorobenzamide (PubChem CID 68505906) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 3-cyano-4-fluorobenzamide.

Molecular Properties

Compound Name3-cyano-4-fluorobenzamide
PubChem CID68505906
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name3-cyano-4-fluorobenzamide
SMILESN#Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C8H5FN2O/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H2,11,12)
InChIKeyZDUVDNJBASJKTP-UHFFFAOYSA-N
XLogP0.80
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-4-fluorobenzohydrazide
CID 59234832
bis(chromium(3+));bis(3-cyano-4-fluorobenzoic acid);tris(oxygen(2-))
CID 173117282
4-[(3-cyano-4-fluorophenyl)methoxy]benzamide
CID 103758758
4-cyano-3-(trifluoromethyl)benzamide
CID 22284887
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121
5-(3-cyanobutanoyl)-2-fluorobenzonitrile
CID 107936487
5-(3-chloro-2,2-dimethylpropanoyl)-2-fluorobenzonitrile
CID 130136908
3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide
CID 23141418
5-(2-chloro-2-phenylacetyl)-2-fluorobenzonitrile
CID 146010108
4-(3-cyano-4-fluorophenyl)-3-methyl-4-oxobutanoic acid
CID 107936552
2-fluoro-5-hydroxybenzonitrile;hydrochloride
CID 145086137
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluorobenzamide?
The IUPAC name of 3-cyano-4-fluorobenzamide (CID 68505906) is 3-cyano-4-fluorobenzamide.
What is the SMILES notation for 3-cyano-4-fluorobenzamide?
The canonical SMILES for 3-cyano-4-fluorobenzamide is N#Cc1cc(C(N)=O)ccc1F.
What is the InChIKey of 3-cyano-4-fluorobenzamide?
The InChIKey is ZDUVDNJBASJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-7-2-1-5(8(11)12)3-6(7)4-10/h1-3H,(H2,11,12).
What are the key properties of 3-cyano-4-fluorobenzamide?
3-cyano-4-fluorobenzamide has a molecular weight of 164.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluorobenzamide is sourced from PubChem (CID 68505906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).