N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C22H25Cl2NO3 — CID 40871171

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1C
InChIInChI=1S/C22H25Cl2NO3/c1-15-5-3-7-21(16(15)2)28-14-22(26)25(13-19-6-4-10-27-19)12-17-8-9-18(23)11-20(17)24/h3,5,7-9,11,19H,4,6,10,12-14H2,1-2H3/t19-/m1/s1
InChIKeyJLSWXTLKZFCYIW-LJQANCHMSA-N
MW422.35 g/mol
LogP5.20
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 40871171) has the molecular formula C22H25Cl2NO3 and a molecular weight of 422.35 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID40871171
Molecular FormulaC22H25Cl2NO3
Molecular Weight422.35 g/mol
Exact Mass421.12
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1C
InChIInChI=1S/C22H25Cl2NO3/c1-15-5-3-7-21(16(15)2)28-14-22(26)25(13-19-6-4-10-27-19)12-17-8-9-18(23)11-20(17)24/h3,5,7-9,11,19H,4,6,10,12-14H2,1-2H3/t19-/m1/s1
InChIKeyJLSWXTLKZFCYIW-LJQANCHMSA-N
XLogP5.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.35
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 40871167
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-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 19120019
2-(2-chlorophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-(oxolan-2-ylmethyl)acetamide
CID 78798881
2-(2-bromo-4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-propylacetamide
CID 3352017
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(oxan-2-ylmethyl)acetamide
CID 91764944
2-(4-chloro-3-methylphenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40871161
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40784128
3-(2,3-dimethylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55595482
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968778

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 40871171) is N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1C.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is JLSWXTLKZFCYIW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25Cl2NO3/c1-15-5-3-7-21(16(15)2)28-14-22(26)25(13-19-6-4-10-27-19)12-17-8-9-18(23)11-20(17)24/h3,5,7-9,11,19H,4,6,10,12-14H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 422.35 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 40871171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).