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

C10H9FN2O2 — CID 79193914

IUPACN-cyano-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NC#N
InChIInChI=1S/C10H9FN2O2/c1-7(10(14)13-6-12)15-9-4-2-8(11)3-5-9/h2-5,7H,1H3,(H,13,14)
InChIKeyDUGJUAHTCZCWQK-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.19
Rot. Bonds3

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

N-cyano-2-(4-fluorophenoxy)propanamide (PubChem CID 79193914) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is N-cyano-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-cyano-2-(4-fluorophenoxy)propanamide
PubChem CID79193914
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC NameN-cyano-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)NC#N
InChIInChI=1S/C10H9FN2O2/c1-7(10(14)13-6-12)15-9-4-2-8(11)3-5-9/h2-5,7H,1H3,(H,13,14)
InChIKeyDUGJUAHTCZCWQK-UHFFFAOYSA-N
XLogP1.19
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyano-2-(4-methoxyphenoxy)propanamide
CID 79194149
(2S)-2-(4-bromophenoxy)-N-cyanopropanamide
CID 164935402
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432
4-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7818685
2-(4-cyanophenoxy)-N-[4-(4-fluorophenoxy)butyl]propanamide
CID 51260411
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601

Frequently Asked Questions

What is the IUPAC name of N-cyano-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-cyano-2-(4-fluorophenoxy)propanamide (CID 79193914) is N-cyano-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-cyano-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-cyano-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)NC#N.
What is the InChIKey of N-cyano-2-(4-fluorophenoxy)propanamide?
The InChIKey is DUGJUAHTCZCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-7(10(14)13-6-12)15-9-4-2-8(11)3-5-9/h2-5,7H,1H3,(H,13,14).
What are the key properties of N-cyano-2-(4-fluorophenoxy)propanamide?
N-cyano-2-(4-fluorophenoxy)propanamide has a molecular weight of 208.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 79193914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).