N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide

C16H13FN2O2 — CID 43176837

IUPACN-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H13FN2O2/c1-11(21-15-4-2-3-13(17)9-15)16(20)19-14-7-5-12(10-18)6-8-14/h2-9,11H,1H3,(H,19,20)
InChIKeyYPSWLUBWLJRDFS-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.10
Rot. Bonds4

About N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide

N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide (PubChem CID 43176837) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
PubChem CID43176837
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C16H13FN2O2/c1-11(21-15-4-2-3-13(17)9-15)16(20)19-14-7-5-12(10-18)6-8-14/h2-9,11H,1H3,(H,19,20)
InChIKeyYPSWLUBWLJRDFS-UHFFFAOYSA-N
XLogP3.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetylphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834470
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
ethyl 3-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8538255
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
2-(4-chloro-3-methylphenoxy)-N-(4-cyanophenyl)propanamide
CID 2993977
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide (CID 43176837) is N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide is CC(Oc1cccc(F)c1)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide?
The InChIKey is YPSWLUBWLJRDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-11(21-15-4-2-3-13(17)9-15)16(20)19-14-7-5-12(10-18)6-8-14/h2-9,11H,1H3,(H,19,20).
What are the key properties of N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide?
N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide has a molecular weight of 284.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-fluorophenoxy)propanamide is sourced from PubChem (CID 43176837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).