2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

C20H20Cl2FNO3 — CID 19120019

IUPAC2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C20H20Cl2FNO3/c21-15-7-8-19(17(22)10-15)27-13-20(25)24(12-16-5-3-9-26-16)11-14-4-1-2-6-18(14)23/h1-2,4,6-8,10,16H,3,5,9,11-13H2
InChIKeyRIUIEPUAKKHDCH-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.72
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide

2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 19120019) has the molecular formula C20H20Cl2FNO3 and a molecular weight of 412.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID19120019
Molecular FormulaC20H20Cl2FNO3
Molecular Weight412.29 g/mol
Exact Mass411.08
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1F)CC1CCCO1
InChIInChI=1S/C20H20Cl2FNO3/c21-15-7-8-19(17(22)10-15)27-13-20(25)24(12-16-5-3-9-26-16)11-14-4-1-2-6-18(14)23/h1-2,4,6-8,10,16H,3,5,9,11-13H2
InChIKeyRIUIEPUAKKHDCH-UHFFFAOYSA-N
XLogP4.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenoxyacetamide
CID 19120015
2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 78798881
N-[(2,4-dichlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 40871167
2-(4-bromophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120014
N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40871171
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008
2-(2-acetyl-4-bromophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40871197
2-(4-bromophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40871759
2-(2-bromo-4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-propylacetamide
CID 3352017
(E)-3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 19120021
3,6-dichloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 19120180
4-(2,4-dichlorophenoxy)-N-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 60568779

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 19120019) is 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1F)CC1CCCO1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RIUIEPUAKKHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2FNO3/c21-15-7-8-19(17(22)10-15)27-13-20(25)24(12-16-5-3-9-26-16)11-14-4-1-2-6-18(14)23/h1-2,4,6-8,10,16H,3,5,9,11-13H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide?
2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 412.29 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 19120019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).