3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide

C14H17FN2O — CID 82139134

IUPAC3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide
SMILESCCN(CC)C(=O)CC(C#N)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-3-17(4-2)14(18)9-12(10-16)11-6-5-7-13(15)8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyJPFVSPAJJVVEKH-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.69
Rot. Bonds5

About 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide

3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide (PubChem CID 82139134) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide
PubChem CID82139134
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide
SMILESCCN(CC)C(=O)CC(C#N)c1cccc(F)c1
InChIInChI=1S/C14H17FN2O/c1-3-17(4-2)14(18)9-12(10-16)11-6-5-7-13(15)8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyJPFVSPAJJVVEKH-UHFFFAOYSA-N
XLogP2.69
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[3-(3-fluorophenyl)butanoyl]amino]propanoic acid
CID 119190914
4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide
CID 112516955
2-[[cyano-(3-fluorophenyl)methyl]-methylamino]acetic acid
CID 84757516
2-(3-fluorophenyl)-3-oxohexanenitrile
CID 43157077
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013
diethyl 2-[(1R,2R)-2-cyano-2-(4-cyanophenyl)-1-(3-fluorophenyl)ethyl]propanedioate
CID 102136990
N-ethyl-2-(3-fluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 109468131
4-cyano-3-(3-fluorophenyl)-4-(4-fluorophenyl)butanoic acid
CID 14838746
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
N-butyl-3-cyano-N-methyl-3-(3-methylphenyl)propanamide
CID 112511573
[(R)-cyano-(3-fluorophenyl)methyl] acetate
CID 14451527
4-(2-ethoxyphenoxy)-2-(3-fluorophenyl)butanenitrile
CID 82137578

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide?
The IUPAC name of 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide (CID 82139134) is 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide is CCN(CC)C(=O)CC(C#N)c1cccc(F)c1.
What is the InChIKey of 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide?
The InChIKey is JPFVSPAJJVVEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-17(4-2)14(18)9-12(10-16)11-6-5-7-13(15)8-11/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide?
3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide has a molecular weight of 248.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,N-diethyl-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 82139134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).