2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide

C15H19FN2O2 — CID 103792142

IUPAC2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(C#N)cc1F
InChIInChI=1S/C15H19FN2O2/c1-4-5-10(2)18-15(19)11(3)20-14-7-6-12(9-17)8-13(14)16/h6-8,10-11H,4-5H2,1-3H3,(H,18,19)
InChIKeySOPNBCRLLXRPGR-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide

2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide (PubChem CID 103792142) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
PubChem CID103792142
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Oc1ccc(C#N)cc1F
InChIInChI=1S/C15H19FN2O2/c1-4-5-10(2)18-15(19)11(3)20-14-7-6-12(9-17)8-13(14)16/h6-8,10-11H,4-5H2,1-3H3,(H,18,19)
InChIKeySOPNBCRLLXRPGR-UHFFFAOYSA-N
XLogP2.77
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
2-(5-cyano-2-methylphenoxy)-N-pentan-2-ylpropanamide
CID 107663138
2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 107670449
2-(4-cyano-2-fluorophenoxy)-N-prop-2-ynylpropanamide
CID 113263499
2-(2-fluoro-4-formylphenoxy)-N-pentan-2-ylpropanamide
CID 103850004
2-(2-bromo-4-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 43112360
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
3-fluoro-4-(4-oxopentan-2-yloxy)benzonitrile
CID 107666517
2-(4-cyano-2-methoxyanilino)-N-pentan-2-ylpropanamide
CID 104848632
4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107014203
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
CID 107720399
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide (CID 103792142) is 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Oc1ccc(C#N)cc1F.
What is the InChIKey of 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide?
The InChIKey is SOPNBCRLLXRPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-5-10(2)18-15(19)11(3)20-14-7-6-12(9-17)8-13(14)16/h6-8,10-11H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide?
2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide has a molecular weight of 278.33 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 103792142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).