7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide

C21H21ClN2O4 — CID 24982292

IUPAC7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C21H21ClN2O4/c1-4-24(12-18(25)23-14-8-10-15(27-3)11-9-14)21(26)19-13(2)16-6-5-7-17(22)20(16)28-19/h5-11H,4,12H2,1-3H3,(H,23,25)
InChIKeyXXPOWWDBKHTMJD-UHFFFAOYSA-N
MW400.86 g/mol
LogP4.50
Rot. Bonds6

About 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 24982292) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID24982292
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Name7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1oc2c(Cl)cccc2c1C
InChIInChI=1S/C21H21ClN2O4/c1-4-24(12-18(25)23-14-8-10-15(27-3)11-9-14)21(26)19-13(2)16-6-5-7-17(22)20(16)28-19/h5-11H,4,12H2,1-3H3,(H,23,25)
InChIKeyXXPOWWDBKHTMJD-UHFFFAOYSA-N
XLogP4.50
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide
CID 2011756
(2S)-2-{[5-(4-chlorophenyl)furan-2-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648344
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 9980998
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-(4-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-3-fluorobutyl)-benzofuran-2-carboxamide
CID 53248209
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 130431325
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 834154
3-{[(7-Chloro-1-benzofuran-2-yl)methyl]amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454452
(2S)-2-[(5-chloro-1-benzofuran-2-yl)formamido]-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
CID 23648333
(2S)-2-(1-benzofuran-2-ylformamido)-3-cyclohexyl-N-(2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)propanamide
CID 23648392
N-[4-[4-(2,4-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 10873978
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 71456235

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 24982292) is 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1oc2c(Cl)cccc2c1C.
What is the InChIKey of 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is XXPOWWDBKHTMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-4-24(12-18(25)23-14-8-10-15(27-3)11-9-14)21(26)19-13(2)16-6-5-7-17(22)20(16)28-19/h5-11H,4,12H2,1-3H3,(H,23,25).
What are the key properties of 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 400.86 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24982292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).