2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C22H26ClN5O4 — CID 55411376

IUPAC2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)NNC(=O)c1ccccc1Cl)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26ClN5O4/c1-27(15-21(30)25-26-22(31)18-4-2-3-5-19(18)23)14-20(29)24-16-6-8-17(9-7-16)28-10-12-32-13-11-28/h2-9H,10-15H2,1H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyPJUFDFAJGLZYOU-UHFFFAOYSA-N
MW459.93 g/mol
LogP1.51
Rot. Bonds7

About 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 55411376) has the molecular formula C22H26ClN5O4 and a molecular weight of 459.93 g/mol. Its IUPAC name is 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID55411376
Molecular FormulaC22H26ClN5O4
Molecular Weight459.93 g/mol
Exact Mass459.17
IUPAC Name2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)NNC(=O)c1ccccc1Cl)CC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H26ClN5O4/c1-27(15-21(30)25-26-22(31)18-4-2-3-5-19(18)23)14-20(29)24-16-6-8-17(9-7-16)28-10-12-32-13-11-28/h2-9H,10-15H2,1H3,(H,24,29)(H,25,30)(H,26,31)
InChIKeyPJUFDFAJGLZYOU-UHFFFAOYSA-N
XLogP1.51
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 24681289
2-[methyl-[2-(4-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464363
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
2-[methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592856
2-[[2-(2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592860
2-[methyl-[2-(4-methylsulfonylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55464279
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 55411376) is 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)NNC(=O)c1ccccc1Cl)CC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is PJUFDFAJGLZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O4/c1-27(15-21(30)25-26-22(31)18-4-2-3-5-19(18)23)14-20(29)24-16-6-8-17(9-7-16)28-10-12-32-13-11-28/h2-9H,10-15H2,1H3,(H,24,29)(H,25,30)(H,26,31).
What are the key properties of 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 459.93 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 55411376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).