4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide

C14H20Cl2N2O2 — CID 119508138

IUPAC4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
SMILESCCNCCNC(=O)CCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-2-17-8-9-18-13(19)7-4-10-20-12-6-3-5-11(15)14(12)16/h3,5-6,17H,2,4,7-10H2,1H3,(H,18,19)
InChIKeyWFRZMSIBHYXSNX-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.88
Rot. Bonds9

About 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide

4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide (PubChem CID 119508138) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
PubChem CID119508138
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
SMILESCCNCCNC(=O)CCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O2/c1-2-17-8-9-18-13(19)7-4-10-20-12-6-3-5-11(15)14(12)16/h3,5-6,17H,2,4,7-10H2,1H3,(H,18,19)
InChIKeyWFRZMSIBHYXSNX-UHFFFAOYSA-N
XLogP2.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653975
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
CID 108573011
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
2-(2,6-dichlorophenyl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509040
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
1-[2-(2,3-dichlorophenoxy)ethyl]-3-(3-ethoxypropyl)urea
CID 60580427
4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
CID 86850793

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide?
The IUPAC name of 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide (CID 119508138) is 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide is CCNCCNC(=O)CCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide?
The InChIKey is WFRZMSIBHYXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-2-17-8-9-18-13(19)7-4-10-20-12-6-3-5-11(15)14(12)16/h3,5-6,17H,2,4,7-10H2,1H3,(H,18,19).
What are the key properties of 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide?
4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide has a molecular weight of 319.23 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide is sourced from PubChem (CID 119508138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).