3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide

C14H16ClFN2O — CID 82139803

IUPAC3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C#N)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c1-3-18(4-2)14(19)10(9-17)8-11-12(15)6-5-7-13(11)16/h5-7,10H,3-4,8H2,1-2H3
InChIKeyBOBJSRKAKGGONZ-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.03
Rot. Bonds5

About 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide

3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide (PubChem CID 82139803) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide
PubChem CID82139803
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C#N)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c1-3-18(4-2)14(19)10(9-17)8-11-12(15)6-5-7-13(11)16/h5-7,10H,3-4,8H2,1-2H3
InChIKeyBOBJSRKAKGGONZ-UHFFFAOYSA-N
XLogP3.03
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(2-chloro-6-fluorophenyl)-2-cyanopropanoate
CID 80502520
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylacetamide
CID 66567844
3-(2-chlorophenyl)-2-cyano-N,N-dipropylpropanamide
CID 82139408
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591
(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid
CID 42327538
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
4-(2-chloro-6-fluorophenyl)-3-hydroxybutanenitrile
CID 82078369
3-[(2-chloro-6-fluorophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54979600
2-(2-chloro-6-fluorophenyl)-N-(2-cyanopropyl)-N-methylacetamide
CID 54990812
dimethyl 2-[(2-chloro-6-fluorophenyl)methyl]propanedioate
CID 94283457
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
3-(2-chloro-6-fluorophenyl)-2-[4-(dimethylamino)phenyl]propanenitrile
CID 82139818

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide (CID 82139803) is 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide is CCN(CC)C(=O)C(C#N)Cc1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide?
The InChIKey is BOBJSRKAKGGONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-3-18(4-2)14(19)10(9-17)8-11-12(15)6-5-7-13(11)16/h5-7,10H,3-4,8H2,1-2H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide?
3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide has a molecular weight of 282.75 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-cyano-N,N-diethylpropanamide is sourced from PubChem (CID 82139803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).