5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide

C24H26ClN3O4 — CID 55380606

IUPAC5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C24H26ClN3O4/c1-3-27(24(30)23-16(2)20-14-17(25)4-9-21(20)32-23)15-22(29)26-18-5-7-19(8-6-18)28-10-12-31-13-11-28/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,29)
InChIKeyNUVBFQYZKUHDTI-UHFFFAOYSA-N
MW455.94 g/mol
LogP4.33
Rot. Bonds6

About 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide

5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide (PubChem CID 55380606) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
PubChem CID55380606
Molecular FormulaC24H26ClN3O4
Molecular Weight455.94 g/mol
Exact Mass455.16
IUPAC Name5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1oc2ccc(Cl)cc2c1C
InChIInChI=1S/C24H26ClN3O4/c1-3-27(24(30)23-16(2)20-14-17(25)4-9-21(20)32-23)15-22(29)26-18-5-7-19(8-6-18)28-10-12-31-13-11-28/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,29)
InChIKeyNUVBFQYZKUHDTI-UHFFFAOYSA-N
XLogP4.33
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 54.33
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

2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
N-ethyl-3,7-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 60567089
N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51230349
5-chloro-3-methyl-N-(3-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 55951792
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135
1-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]isoquinoline-3-carboxamide
CID 55666693
2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55388550
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
5-bromo-3-methyl-N-(4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 2107465
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide (CID 55380606) is 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1oc2ccc(Cl)cc2c1C.
What is the InChIKey of 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The InChIKey is NUVBFQYZKUHDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-3-27(24(30)23-16(2)20-14-17(25)4-9-21(20)32-23)15-22(29)26-18-5-7-19(8-6-18)28-10-12-31-13-11-28/h4-9,14H,3,10-13,15H2,1-2H3,(H,26,29).
What are the key properties of 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide has a molecular weight of 455.94 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-3-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55380606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).