2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C20H23Cl2N3O2 — CID 8592972

IUPAC2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3O2/c1-24(13-15-2-3-16(21)12-19(15)22)14-20(26)23-17-4-6-18(7-5-17)25-8-10-27-11-9-25/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)
InChIKeyMPWCSOSIIXWBCZ-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.90
Rot. Bonds6

About 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 8592972) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID8592972
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3O2/c1-24(13-15-2-3-16(21)12-19(15)22)14-20(26)23-17-4-6-18(7-5-17)25-8-10-27-11-9-25/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)
InChIKeyMPWCSOSIIXWBCZ-UHFFFAOYSA-N
XLogP3.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[(2,5-dimethylphenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592750
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[[2-(2,4-dichlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820741
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
(2S)-2-(2,4-dichlorophenoxy)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 25336598
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623732

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 8592972) is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is MPWCSOSIIXWBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-24(13-15-2-3-16(21)12-19(15)22)14-20(26)23-17-4-6-18(7-5-17)25-8-10-27-11-9-25/h2-7,12H,8-11,13-14H2,1H3,(H,23,26).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 408.33 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 8592972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).