4-cyano-3-fluoro-N-propylbenzamide

C11H11FN2O — CID 91191816

IUPAC4-cyano-3-fluoro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C#N)c(F)c1
InChIInChI=1S/C11H11FN2O/c1-2-5-14-11(15)8-3-4-9(7-13)10(12)6-8/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyBAMLGYDPMFFDFW-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.84
Rot. Bonds3

About 4-cyano-3-fluoro-N-propylbenzamide

4-cyano-3-fluoro-N-propylbenzamide (PubChem CID 91191816) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 4-cyano-3-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name4-cyano-3-fluoro-N-propylbenzamide
PubChem CID91191816
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name4-cyano-3-fluoro-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(C#N)c(F)c1
InChIInChI=1S/C11H11FN2O/c1-2-5-14-11(15)8-3-4-9(7-13)10(12)6-8/h3-4,6H,2,5H2,1H3,(H,14,15)
InChIKeyBAMLGYDPMFFDFW-UHFFFAOYSA-N
XLogP1.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371
3,4-difluoro-N-heptylbenzamide
CID 91717416
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
N-(4-cyanobutyl)-3,4-difluorobenzamide
CID 63284826
3-(cyanomethyl)-N-propylbenzamide
CID 82178980
N-propylnaphthalene-2-carboxamide
CID 6624536
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
4-cyano-N-[2-(propylamino)ethyl]benzamide
CID 55100867

Frequently Asked Questions

What is the IUPAC name of 4-cyano-3-fluoro-N-propylbenzamide?
The IUPAC name of 4-cyano-3-fluoro-N-propylbenzamide (CID 91191816) is 4-cyano-3-fluoro-N-propylbenzamide.
What is the SMILES notation for 4-cyano-3-fluoro-N-propylbenzamide?
The canonical SMILES for 4-cyano-3-fluoro-N-propylbenzamide is CCCNC(=O)c1ccc(C#N)c(F)c1.
What is the InChIKey of 4-cyano-3-fluoro-N-propylbenzamide?
The InChIKey is BAMLGYDPMFFDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-2-5-14-11(15)8-3-4-9(7-13)10(12)6-8/h3-4,6H,2,5H2,1H3,(H,14,15).
What are the key properties of 4-cyano-3-fluoro-N-propylbenzamide?
4-cyano-3-fluoro-N-propylbenzamide has a molecular weight of 206.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-3-fluoro-N-propylbenzamide is sourced from PubChem (CID 91191816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).