2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C20H21Cl2NO3 — CID 40850277

IUPAC2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1
InChIInChI=1S/C20H21Cl2NO3/c21-16-5-3-15(4-6-16)12-23(13-19-2-1-11-25-19)20(24)14-26-18-9-7-17(22)8-10-18/h3-10,19H,1-2,11-14H2/t19-/m1/s1
InChIKeySGWVBFCQRKFSCH-LJQANCHMSA-N
MW394.30 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 40850277) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID40850277
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1
InChIInChI=1S/C20H21Cl2NO3/c21-16-5-3-15(4-6-16)12-23(13-19-2-1-11-25-19)20(24)14-26-18-9-7-17(22)8-10-18/h3-10,19H,1-2,11-14H2/t19-/m1/s1
InChIKeySGWVBFCQRKFSCH-LJQANCHMSA-N
XLogP4.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42387343
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
2-(4-chlorophenoxy)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733141
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40841722
[4-[[oxolan-2-ylmethyl-(2-phenoxyacetyl)amino]methyl]phenyl] methanesulfonate
CID 3982068
N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19119995
2-(4-bromophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40871759
N-[[4-(dimethylamino)phenyl]methyl]-2-(3,4-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 40639553
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 40850277) is 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is SGWVBFCQRKFSCH-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c21-16-5-3-15(4-6-16)12-23(13-19-2-1-11-25-19)20(24)14-26-18-9-7-17(22)8-10-18/h3-10,19H,1-2,11-14H2/t19-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 394.30 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 40850277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).