2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C21H23Cl2N3O4 — CID 4820741

IUPAC2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O4/c1-25(21(28)14-30-19-7-2-15(22)12-18(19)23)13-20(27)24-16-3-5-17(6-4-16)26-8-10-29-11-9-26/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyIDWYSYTYQPYDRM-UHFFFAOYSA-N
MW452.34 g/mol
LogP3.31
Rot. Bonds7

About 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4820741) has the molecular formula C21H23Cl2N3O4 and a molecular weight of 452.34 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4820741
Molecular FormulaC21H23Cl2N3O4
Molecular Weight452.34 g/mol
Exact Mass451.11
IUPAC Name2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H23Cl2N3O4/c1-25(21(28)14-30-19-7-2-15(22)12-18(19)23)13-20(27)24-16-3-5-17(6-4-16)26-8-10-29-11-9-26/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)
InChIKeyIDWYSYTYQPYDRM-UHFFFAOYSA-N
XLogP3.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
2-[[2-(2,5-dimethylphenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7551228
(2S)-2-(2,4-dichlorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 25336598
2-(2,5-dichlorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2588764
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972
2-(2,4-dichlorophenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 5024260
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211
2-(2,4-dichlorophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1080666
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-(4-chlorophenoxy)-N,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 4820759
2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
2-(2,4-dichlorophenoxy)-N-[3-(4-morpholin-4-ylphenyl)propyl]acetamide
CID 16890044

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 4820741) is 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is IDWYSYTYQPYDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4/c1-25(21(28)14-30-19-7-2-15(22)12-18(19)23)13-20(27)24-16-3-5-17(6-4-16)26-8-10-29-11-9-26/h2-7,12H,8-11,13-14H2,1H3,(H,24,27).
What are the key properties of 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 452.34 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4820741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).