N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide

C14H16Cl2N2O3 — CID 51092200

IUPACN-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)NCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(13(10)16)21-7-6-17-12(19)8-18-14(20)9-4-5-9/h1-3,9H,4-8H2,(H,17,19)(H,18,20)
InChIKeyQJKYZQMDZJHCPS-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.01
Rot. Bonds7

About N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 51092200) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID51092200
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)NCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(13(10)16)21-7-6-17-12(19)8-18-14(20)9-4-5-9/h1-3,9H,4-8H2,(H,17,19)(H,18,20)
InChIKeyQJKYZQMDZJHCPS-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide (CID 51092200) is N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide is O=C(CNC(=O)C1CC1)NCCOc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is QJKYZQMDZJHCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-10-2-1-3-11(13(10)16)21-7-6-17-12(19)8-18-14(20)9-4-5-9/h1-3,9H,4-8H2,(H,17,19)(H,18,20).
What are the key properties of N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 331.20 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dichlorophenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51092200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).