2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide

C14H17ClN2O3 — CID 114322670

IUPAC2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C14H17ClN2O3/c1-10(14(18)17-6-3-7-19-2)20-13-8-12(15)5-4-11(13)9-16/h4-5,8,10H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyZBMQTOIRNDXADD-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.13
Rot. Bonds7

About 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide

2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 114322670) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID114322670
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C14H17ClN2O3/c1-10(14(18)17-6-3-7-19-2)20-13-8-12(15)5-4-11(13)9-16/h4-5,8,10H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyZBMQTOIRNDXADD-UHFFFAOYSA-N
XLogP2.13
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-cyanophenoxy)-N-methylpropanamide
CID 114322693
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-(2-cyanophenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843130
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
4-chloro-2-[1-(3-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 114323738
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide
CID 63598467
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-(4-amino-2-cyanophenoxy)-N-pentylpropanamide
CID 61269021

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide (CID 114322670) is 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1cc(Cl)ccc1C#N.
What is the InChIKey of 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is ZBMQTOIRNDXADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-10(14(18)17-6-3-7-19-2)20-13-8-12(15)5-4-11(13)9-16/h4-5,8,10H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide?
2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 296.75 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanophenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 114322670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).