2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide

C13H14FN3O3 — CID 107670449

IUPAC2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1ccc(C#N)cc1F
InChIInChI=1S/C13H14FN3O3/c1-3-16-13(19)17-12(18)8(2)20-11-5-4-9(7-15)6-10(11)14/h4-6,8H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeySTURQTXQGKFXDA-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.31
Rot. Bonds4

About 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide

2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide (PubChem CID 107670449) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide
PubChem CID107670449
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Oc1ccc(C#N)cc1F
InChIInChI=1S/C13H14FN3O3/c1-3-16-13(19)17-12(18)8(2)20-11-5-4-9(7-15)6-10(11)14/h4-6,8H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeySTURQTXQGKFXDA-UHFFFAOYSA-N
XLogP1.31
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(4-cyano-2-fluorophenoxy)propanamide
CID 103792212
2-(4-cyano-2-fluorophenoxy)-N-prop-2-ynylpropanamide
CID 113263499
2-(4-cyano-2-fluorophenoxy)-N-pentan-2-ylpropanamide
CID 103792142
2-(3-cyano-5-methoxyphenoxy)-N-(ethylcarbamoyl)propanamide
CID 103566927
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-cyanobenzoate
CID 3976033
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 9384043
N-(ethylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625657
3-fluoro-4-(4-oxopentan-2-yloxy)benzonitrile
CID 107666517
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(propan-2-ylcarbamoyl)propanamide
CID 9384048
(2R)-2-(4-cyano-2-ethoxyphenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7993349
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
2-(4-cyano-2-nitrophenoxy)-N-(methylcarbamoyl)propanamide
CID 115595440

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide (CID 107670449) is 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Oc1ccc(C#N)cc1F.
What is the InChIKey of 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide?
The InChIKey is STURQTXQGKFXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-3-16-13(19)17-12(18)8(2)20-11-5-4-9(7-15)6-10(11)14/h4-6,8H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide?
2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide has a molecular weight of 279.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-fluorophenoxy)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 107670449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).