2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide

C12H13ClN2O2 — CID 62668489

IUPAC2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-10-3-5-11(6-4-10)17-9-12(16)15-8-2-1-7-14/h3-6H,1-2,8-9H2,(H,15,16)
InChIKeyHXCSFBKJFFHZOX-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.14
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide

2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide (PubChem CID 62668489) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
PubChem CID62668489
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O2/c13-10-3-5-11(6-4-10)17-9-12(16)15-8-2-1-7-14/h3-6H,1-2,8-9H2,(H,15,16)
InChIKeyHXCSFBKJFFHZOX-UHFFFAOYSA-N
XLogP2.14
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyanomethyl)phenoxy]-N-(3-cyanopropyl)acetamide
CID 75454453
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
2-(4-chlorophenoxy)-N-(5-iodopentyl)acetamide
CID 107322523
N-[4-(4-chlorophenoxy)butyl]-2-(4-nitrophenoxy)acetamide
CID 24552477
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78933215
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
2-(4-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide (CID 62668489) is 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide is N#CCCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide?
The InChIKey is HXCSFBKJFFHZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-10-3-5-11(6-4-10)17-9-12(16)15-8-2-1-7-14/h3-6H,1-2,8-9H2,(H,15,16).
What are the key properties of 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide?
2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide has a molecular weight of 252.70 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3-cyanopropyl)acetamide is sourced from PubChem (CID 62668489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).