2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide

C21H20Cl2F2N2O4 — CID 155069111

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC1CCN(C(=O)COc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C21H20Cl2F2N2O4/c22-16-3-1-14(7-18(16)24)30-11-20(28)26-9-13-5-6-27(10-13)21(29)12-31-15-2-4-17(23)19(25)8-15/h1-4,7-8,13H,5-6,9-12H2,(H,26,28)
InChIKeyJANBLRZFEAXOAS-UHFFFAOYSA-N
MW473.30 g/mol
LogP3.69
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 155069111) has the molecular formula C21H20Cl2F2N2O4 and a molecular weight of 473.30 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID155069111
Molecular FormulaC21H20Cl2F2N2O4
Molecular Weight473.30 g/mol
Exact Mass472.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC1CCN(C(=O)COc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C21H20Cl2F2N2O4/c22-16-3-1-14(7-18(16)24)30-11-20(28)26-9-13-5-6-27(10-13)21(29)12-31-15-2-4-17(23)19(25)8-15/h1-4,7-8,13H,5-6,9-12H2,(H,26,28)
InChIKeyJANBLRZFEAXOAS-UHFFFAOYSA-N
XLogP3.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]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

tert-butyl 3-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]pyrrolidine-1-carboxylate
CID 155069109
2-(3,4-dichlorophenoxy)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124612707
N-[(3-aminocyclopentyl)methyl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 154693316
2-(4-chlorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63263451
2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119538326
2-(4-fluorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538325
[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidin-4-yl]methyl carbamate
CID 175222959
2-(4-chlorophenoxy)-N-[2-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]ethyl]acetamide
CID 137380578
(1S,5R)-6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166681175
2-(3,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119645223

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide (CID 155069111) is 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NCC1CCN(C(=O)COc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is JANBLRZFEAXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2F2N2O4/c22-16-3-1-14(7-18(16)24)30-11-20(28)26-9-13-5-6-27(10-13)21(29)12-31-15-2-4-17(23)19(25)8-15/h1-4,7-8,13H,5-6,9-12H2,(H,26,28).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 473.30 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[2-(4-chloro-3-fluorophenoxy)acetyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 155069111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).