2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide

C20H21Cl2FN2O5 — CID 155302933

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC[C@H](O)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C20H21Cl2FN2O5/c21-13-2-1-3-15(8-13)29-12-20(28)25-10-14(26)6-7-24-19(27)11-30-16-4-5-17(22)18(23)9-16/h1-5,8-9,14,26H,6-7,10-12H2,(H,24,27)(H,25,28)/t14-/m0/s1
InChIKeyFHWWVXIKZFBKTK-AWEZNQCLSA-N
MW459.30 g/mol
LogP2.57
Rot. Bonds11

About 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide (PubChem CID 155302933) has the molecular formula C20H21Cl2FN2O5 and a molecular weight of 459.30 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
PubChem CID155302933
Molecular FormulaC20H21Cl2FN2O5
Molecular Weight459.30 g/mol
Exact Mass458.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC[C@H](O)CNC(=O)COc1cccc(Cl)c1
InChIInChI=1S/C20H21Cl2FN2O5/c21-13-2-1-3-15(8-13)29-12-20(28)25-10-14(26)6-7-24-19(27)11-30-16-4-5-17(22)18(23)9-16/h1-5,8-9,14,26H,6-7,10-12H2,(H,24,27)(H,25,28)/t14-/m0/s1
InChIKeyFHWWVXIKZFBKTK-AWEZNQCLSA-N
XLogP2.57
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-(3,4-difluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632756
2-(4-chloro-3-fluorophenoxy)-N-[4-[2-(4-chlorophenoxy)ethylamino]-3-hydroxybutyl]acetamide
CID 138632361
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-(4-chloro-N-methylanilino)acetamide
CID 155303138
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
2-(3-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[(2-pyridin-2-yloxyacetyl)amino]butyl]acetamide
CID 155303020
(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]methyl]butanoic acid
CID 138632179
(2R)-2-[[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]amino]-4-(4-chlorophenoxy)butanoic acid
CID 155303446
N-[(3S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxybutyl]-2-(5-fluoro-2-oxopyrimidin-1-yl)acetamide
CID 155303096

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide (CID 155302933) is 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NCC[C@H](O)CNC(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide?
The InChIKey is FHWWVXIKZFBKTK-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21Cl2FN2O5/c21-13-2-1-3-15(8-13)29-12-20(28)25-10-14(26)6-7-24-19(27)11-30-16-4-5-17(22)18(23)9-16/h1-5,8-9,14,26H,6-7,10-12H2,(H,24,27)(H,25,28)/t14-/m0/s1.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide has a molecular weight of 459.30 g/mol, XLogP of 2.57, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide is sourced from PubChem (CID 155302933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).