N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide

C15H20FN3O — CID 62660882

IUPACN-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)N(CC)CCC#N
InChIInChI=1S/C15H20FN3O/c1-3-10-18-14-12(7-5-8-13(14)16)15(20)19(4-2)11-6-9-17/h5,7-8,18H,3-4,6,10-11H2,1-2H3
InChIKeyWTBYBYFQLWMBIZ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.02
Rot. Bonds7

About N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide

N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide (PubChem CID 62660882) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide
PubChem CID62660882
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide
SMILESCCCNc1c(F)cccc1C(=O)N(CC)CCC#N
InChIInChI=1S/C15H20FN3O/c1-3-10-18-14-12(7-5-8-13(14)16)15(20)19(4-2)11-6-9-17/h5,7-8,18H,3-4,6,10-11H2,1-2H3
InChIKeyWTBYBYFQLWMBIZ-UHFFFAOYSA-N
XLogP3.02
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
CID 62649253
N-(2-cyanoethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63047743
3-amino-2-bromo-N-(2-cyanoethyl)-N-ethylbenzamide
CID 113366975
5-bromo-N-(2-cyanoethyl)-N-ethyl-2-fluorobenzamide
CID 60955236
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
N-(2-cyanoethyl)-N-ethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548786
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 106673755
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
2,6-difluoro-N-propylaniline
CID 21161523

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide (CID 62660882) is N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide is CCCNc1c(F)cccc1C(=O)N(CC)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide?
The InChIKey is WTBYBYFQLWMBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-3-10-18-14-12(7-5-8-13(14)16)15(20)19(4-2)11-6-9-17/h5,7-8,18H,3-4,6,10-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide?
N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide has a molecular weight of 277.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide is sourced from PubChem (CID 62660882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).