2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

C19H20Cl2N2O3 — CID 18079230

IUPAC2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-2-23(19(25)13-26-17-5-3-4-16(21)10-17)12-18(24)22-11-14-6-8-15(20)9-7-14/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyLTNJTMMJEOWPMA-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.54
Rot. Bonds8

About 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide

2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (PubChem CID 18079230) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
PubChem CID18079230
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-2-23(19(25)13-26-17-5-3-4-16(21)10-17)12-18(24)22-11-14-6-8-15(20)9-7-14/h3-10H,2,11-13H2,1H3,(H,22,24)
InChIKeyLTNJTMMJEOWPMA-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(3-chlorophenoxy)acetamide
CID 309594
2-[4-(3-Chlorobenzyloxy)benzyl]aminoacetamide
CID 11324179
N-benzyl-2-(4-chlorophenoxy)acetamide
CID 2791617
N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
1-(4-Benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 752941
(R)-1-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 9999626
2-(3-chlorophenoxy)-N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methylpropanamide
CID 10288440
N-(2-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 11258291
N-(3-chlorobenzyl)-2-(2-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579802
2-(3-Chloro-phenoxy)-N-(3-methyl-benzyl)-N-(R)-1-pyrrolidin-2-ylmethyl-propionamide
CID 44579824
N-(3-chlorobenzyl)-2-(3-chlorophenoxy)-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44579840

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide (CID 18079230) is 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
The InChIKey is LTNJTMMJEOWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-2-23(19(25)13-26-17-5-3-4-16(21)10-17)12-18(24)22-11-14-6-8-15(20)9-7-14/h3-10H,2,11-13H2,1H3,(H,22,24).
What are the key properties of 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide?
2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide has a molecular weight of 395.29 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 18079230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).