2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

C21H24Cl2N2O3 — CID 9144310

IUPAC2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H24Cl2N2O3/c1-15-2-4-16(5-3-15)19(13-25-8-10-27-11-9-25)24-21(26)14-28-20-7-6-17(22)12-18(20)23/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyLXKXNKDBDXRSCL-LJQANCHMSA-N
MW423.34 g/mol
LogP3.87
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 9144310) has the molecular formula C21H24Cl2N2O3 and a molecular weight of 423.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID9144310
Molecular FormulaC21H24Cl2N2O3
Molecular Weight423.34 g/mol
Exact Mass422.12
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H24Cl2N2O3/c1-15-2-4-16(5-3-15)19(13-25-8-10-27-11-9-25)24-21(26)14-28-20-7-6-17(22)12-18(20)23/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyLXKXNKDBDXRSCL-LJQANCHMSA-N
XLogP3.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144641
2-(4-chloro-2-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148647
2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
methyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 55440377
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 9144499
2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24560111
[(2R)-1-morpholin-4-ylpropan-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 932357
2-(2-methoxyphenoxy)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 18103834
2-(3-methylphenoxy)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148983
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide (CID 9144310) is 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is LXKXNKDBDXRSCL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24Cl2N2O3/c1-15-2-4-16(5-3-15)19(13-25-8-10-27-11-9-25)24-21(26)14-28-20-7-6-17(22)12-18(20)23/h2-7,12,19H,8-11,13-14H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 423.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 9144310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).