4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide

C15H19FN2O — CID 112516955

IUPAC4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide
SMILESCCN(CC)C(=O)CCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-3-18(4-2)15(19)10-7-13(11-17)12-5-8-14(16)9-6-12/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyUAXCTOZITDYJQN-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.08
Rot. Bonds6

About 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide

4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide (PubChem CID 112516955) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide
PubChem CID112516955
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide
SMILESCCN(CC)C(=O)CCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-3-18(4-2)15(19)10-7-13(11-17)12-5-8-14(16)9-6-12/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyUAXCTOZITDYJQN-UHFFFAOYSA-N
XLogP3.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-2-phenylacetamide
CID 17076
N,N-diethyl-2,2-diphenylacetamide
CID 229107
1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
1-Methyl-5-phenyl-piperidin-2-one
CID 12012176
2-(4-fluorophenyl)-N,N-dipropylacetamide
CID 1121963
2-phenyl-N,N-di(propan-2-yl)butanamide
CID 3747942
1-Methyl-4-phenylpyrrolidin-2-one
CID 12448963
N,N,2-trimethyl-3-phenylpropanamide
CID 4089420
(4R)-1-methyl-4-phenylpyrrolidin-2-one
CID 89763096
N-(2-cyanoethyl)-N,3-dimethyl-3-phenylpentanamide
CID 662280
1-(3-Methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 2891223
3,5-Dimethyl-1-(3-phenylpropanoyl)piperidine
CID 2904340

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide?
The IUPAC name of 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide (CID 112516955) is 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide.
What is the SMILES notation for 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide?
The canonical SMILES for 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide is CCN(CC)C(=O)CCC(C#N)c1ccc(F)cc1.
What is the InChIKey of 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide?
The InChIKey is UAXCTOZITDYJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-18(4-2)15(19)10-7-13(11-17)12-5-8-14(16)9-6-12/h5-6,8-9,13H,3-4,7,10H2,1-2H3.
What are the key properties of 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide?
4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide has a molecular weight of 262.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N-diethyl-4-(4-fluorophenyl)butanamide is sourced from PubChem (CID 112516955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).