N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide

C22H19Cl2NO3 — CID 3374858

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide
SMILESO=C(COc1ccccc1)N(CCOc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C22H19Cl2NO3/c23-17-11-12-21(20(24)15-17)27-14-13-25(18-7-3-1-4-8-18)22(26)16-28-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2
InChIKeyKZKLAZOGGLVEQP-UHFFFAOYSA-N
MW416.30 g/mol
LogP5.48
Rot. Bonds8

About N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide

N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide (PubChem CID 3374858) has the molecular formula C22H19Cl2NO3 and a molecular weight of 416.30 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide
PubChem CID3374858
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.30 g/mol
Exact Mass415.07
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide
SMILESO=C(COc1ccccc1)N(CCOc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C22H19Cl2NO3/c23-17-11-12-21(20(24)15-17)27-14-13-25(18-7-3-1-4-8-18)22(26)16-28-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2
InChIKeyKZKLAZOGGLVEQP-UHFFFAOYSA-N
XLogP5.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.30
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-phenoxy-N-phenylacetamide
CID 28766720
2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)-N-propylacetamide
CID 17321195
N-(4-chlorophenyl)-2-(2,4-dichlorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 35182106
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-phenoxypropanehydrazide
CID 19168021
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-phenylacetamide
CID 8976144
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
[2-(2,4-dichlorophenoxy)acetyl] 11-phenoxyundecanoate
CID 87940027
N-[2-(2,4-dichlorophenyl)ethyl]-N-(furan-2-ylmethyl)-2-phenoxyacetamide
CID 42709076
2-(2,4-dichlorophenoxy)-N-(2-nitrophenyl)-N-phenylacetamide
CID 3303269
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide (CID 3374858) is N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide is O=C(COc1ccccc1)N(CCOc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide?
The InChIKey is KZKLAZOGGLVEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3/c23-17-11-12-21(20(24)15-17)27-14-13-25(18-7-3-1-4-8-18)22(26)16-28-19-9-5-2-6-10-19/h1-12,15H,13-14,16H2.
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide?
N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide has a molecular weight of 416.30 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)ethyl]-2-phenoxy-N-phenylacetamide is sourced from PubChem (CID 3374858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).