2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

C21H23Cl2N3O3 — CID 55342013

IUPAC2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H23Cl2N3O3/c1-2-25(21(28)18-13-15(22)3-8-19(18)23)14-20(27)24-16-4-6-17(7-5-16)26-9-11-29-12-10-26/h3-8,13H,2,9-12,14H2,1H3,(H,24,27)
InChIKeyCUEJHERYGTVGES-UHFFFAOYSA-N
MW436.34 g/mol
LogP3.93
Rot. Bonds6

About 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide

2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (PubChem CID 55342013) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
PubChem CID55342013
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC Name2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H23Cl2N3O3/c1-2-25(21(28)18-13-15(22)3-8-19(18)23)14-20(27)24-16-4-6-17(7-5-16)26-9-11-29-12-10-26/h3-8,13H,2,9-12,14H2,1H3,(H,24,27)
InChIKeyCUEJHERYGTVGES-UHFFFAOYSA-N
XLogP3.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 53.93
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

5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 55380606
2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55388550
N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51230349
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
CID 55342172
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
1-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]isoquinoline-3-carboxamide
CID 55666693
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592972
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-nitrobenzamide
CID 8960451
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide (CID 55342013) is 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
The InChIKey is CUEJHERYGTVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-2-25(21(28)18-13-15(22)3-8-19(18)23)14-20(27)24-16-4-6-17(7-5-16)26-9-11-29-12-10-26/h3-8,13H,2,9-12,14H2,1H3,(H,24,27).
What are the key properties of 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide?
2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide has a molecular weight of 436.34 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55342013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).