2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide

C20H18Cl2F2N2O5 — CID 138632283

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide
SMILESO=C(CCNC(=O)COc1ccc(Cl)c(F)c1)CNC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C20H18Cl2F2N2O5/c21-15-3-1-13(7-17(15)23)30-10-19(28)25-6-5-12(27)9-26-20(29)11-31-14-2-4-16(22)18(24)8-14/h1-4,7-8H,5-6,9-11H2,(H,25,28)(H,26,29)
InChIKeyXKEXFEZABJYZJF-UHFFFAOYSA-N
MW475.28 g/mol
LogP2.92
Rot. Bonds11

About 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide (PubChem CID 138632283) has the molecular formula C20H18Cl2F2N2O5 and a molecular weight of 475.28 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide
PubChem CID138632283
Molecular FormulaC20H18Cl2F2N2O5
Molecular Weight475.28 g/mol
Exact Mass474.06
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide
SMILESO=C(CCNC(=O)COc1ccc(Cl)c(F)c1)CNC(=O)COc1ccc(Cl)c(F)c1
InChIInChI=1S/C20H18Cl2F2N2O5/c21-15-3-1-13(7-17(15)23)30-10-19(28)25-6-5-12(27)9-26-20(29)11-31-14-2-4-16(22)18(24)8-14/h1-4,7-8H,5-6,9-11H2,(H,25,28)(H,26,29)
InChIKeyXKEXFEZABJYZJF-UHFFFAOYSA-N
XLogP2.92
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-fluorobutyl]acetamide
CID 138632382
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]butanoic acid
CID 138632179
(3S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(4-chloro-3-fluorophenyl)-2-oxoethyl]-3-hydroxypentanamide
CID 166896196
[(2S)-1,4-bis[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]butan-2-yl] acetate
CID 138632788
2-(4-chloro-3-fluorophenoxy)-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)but-3-enyl]acetamide
CID 167268053
(E)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 138632707
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-(hydrazinylmethyl)benzamide
CID 155265235
N-[(4-tert-butylphenyl)methyl]-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-methylidenebutanamide
CID 138736376
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-methoxypyridine-2-carboxamide
CID 155264549

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide (CID 138632283) is 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide is O=C(CCNC(=O)COc1ccc(Cl)c(F)c1)CNC(=O)COc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide?
The InChIKey is XKEXFEZABJYZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F2N2O5/c21-15-3-1-13(7-17(15)23)30-10-19(28)25-6-5-12(27)9-26-20(29)11-31-14-2-4-16(22)18(24)8-14/h1-4,7-8H,5-6,9-11H2,(H,25,28)(H,26,29).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide has a molecular weight of 475.28 g/mol, XLogP of 2.92, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxobutyl]acetamide is sourced from PubChem (CID 138632283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).