2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide

C20H23Cl2N3O2 — CID 55566312

IUPAC2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CNc1cccc(Cl)c1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23Cl2N3O2/c1-14(15-5-7-16(21)8-6-15)24-19(26)13-23-18-4-2-3-17(22)20(18)25-9-11-27-12-10-25/h2-8,14,23H,9-13H2,1H3,(H,24,26)
InChIKeyMWBJLINQTOYFQY-UHFFFAOYSA-N
MW408.33 g/mol
LogP4.12
Rot. Bonds6

About 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide

2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide (PubChem CID 55566312) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
PubChem CID55566312
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CNc1cccc(Cl)c1N1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H23Cl2N3O2/c1-14(15-5-7-16(21)8-6-15)24-19(26)13-23-18-4-2-3-17(22)20(18)25-9-11-27-12-10-25/h2-8,14,23H,9-13H2,1H3,(H,24,26)
InChIKeyMWBJLINQTOYFQY-UHFFFAOYSA-N
XLogP4.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55365315
3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline
CID 91674333
2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide
CID 39998866
2-(3-chloro-2-morpholin-4-ylanilino)-N-(3-methoxyphenyl)acetamide
CID 39998814
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
N-(3-chloro-2-morpholin-4-ylphenyl)-2-methyl-3-(methylamino)propanamide
CID 119840536
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3569422
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711796
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8593396
N-benzyl-3-chloro-2-morpholin-4-ylaniline
CID 91674334
N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78836405

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide (CID 55566312) is 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide is CC(NC(=O)CNc1cccc(Cl)c1N1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is MWBJLINQTOYFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-14(15-5-7-16(21)8-6-15)24-19(26)13-23-18-4-2-3-17(22)20(18)25-9-11-27-12-10-25/h2-8,14,23H,9-13H2,1H3,(H,24,26).
What are the key properties of 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide?
2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 408.33 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 55566312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).