2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide

C20H20F4N2O5 — CID 138632756

IUPAC2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
SMILESO=C(COc1ccc(F)c(F)c1)NCCC(O)CNC(=O)COc1ccc(F)c(F)c1
InChIInChI=1S/C20H20F4N2O5/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/h1-4,7-8,12,27H,5-6,9-11H2,(H,25,28)(H,26,29)
InChIKeySYFFEJQXQBDFHV-UHFFFAOYSA-N
MW444.38 g/mol
LogP1.68
Rot. Bonds11

About 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide

2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide (PubChem CID 138632756) has the molecular formula C20H20F4N2O5 and a molecular weight of 444.38 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
PubChem CID138632756
Molecular FormulaC20H20F4N2O5
Molecular Weight444.38 g/mol
Exact Mass444.13
IUPAC Name2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
SMILESO=C(COc1ccc(F)c(F)c1)NCCC(O)CNC(=O)COc1ccc(F)c(F)c1
InChIInChI=1S/C20H20F4N2O5/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/h1-4,7-8,12,27H,5-6,9-11H2,(H,25,28)(H,26,29)
InChIKeySYFFEJQXQBDFHV-UHFFFAOYSA-N
XLogP1.68
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]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

2-(3,4-difluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 155303175
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 155303042
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-[4-(difluoromethyl)phenoxy]acetamide
CID 138632447
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-(4-chloro-N-methylanilino)acetamide
CID 155303138
N-[(3S)-3-hydroxy-4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 138632795
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chlorophenoxy)ethylamino]-3-hydroxybutyl]acetamide
CID 138632361
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 138632728
2-(4-chloro-3-fluorophenoxy)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-fluorobutyl]acetamide
CID 138632382
2-(4-chloro-3-fluorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[2-(methoxymethyl)phenoxy]acetyl]amino]butyl]acetamide
CID 155303129
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-(5-fluoro-2-oxopyrimidin-1-yl)acetamide
CID 155303096
(2R)-2-[[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]amino]-4-(4-chlorophenoxy)butanoic acid
CID 155303446

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide (CID 138632756) is 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide is O=C(COc1ccc(F)c(F)c1)NCCC(O)CNC(=O)COc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide?
The InChIKey is SYFFEJQXQBDFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O5/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/h1-4,7-8,12,27H,5-6,9-11H2,(H,25,28)(H,26,29).
What are the key properties of 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide?
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide has a molecular weight of 444.38 g/mol, XLogP of 1.68, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide is sourced from PubChem (CID 138632756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).