5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C20H21ClN2O4 — CID 46442210

IUPAC5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H21ClN2O4/c1-3-23(12-19(24)22-15-5-7-16(26-2)8-6-15)20(25)18-11-13-10-14(21)4-9-17(13)27-18/h4-10,18H,3,11-12H2,1-2H3,(H,22,24)
InChIKeySJPFXLWAGUJHLJ-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.14
Rot. Bonds6

About 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 46442210) has the molecular formula C20H21ClN2O4 and a molecular weight of 388.85 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID46442210
Molecular FormulaC20H21ClN2O4
Molecular Weight388.85 g/mol
Exact Mass388.12
IUPAC Name5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H21ClN2O4/c1-3-23(12-19(24)22-15-5-7-16(26-2)8-6-15)20(25)18-11-13-10-14(21)4-9-17(13)27-18/h4-10,18H,3,11-12H2,1-2H3,(H,22,24)
InChIKeySJPFXLWAGUJHLJ-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9094964
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574
methyl 2-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetate
CID 60779368
5-chloro-N-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013576
5-chloro-N-[4-(ethylsulfonylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55960335
(2R)-5-chloro-N,N-bis(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95157077
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 67297085
(2S)-5-chloro-N,N-bis(2-cyanoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94813008
dimethyl 5-[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]oxybenzene-1,3-dicarboxylate
CID 9456461
5-chloro-N-ethyl-N-(4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18090415
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499
5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42920084

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 46442210) is 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is SJPFXLWAGUJHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4/c1-3-23(12-19(24)22-15-5-7-16(26-2)8-6-15)20(25)18-11-13-10-14(21)4-9-17(13)27-18/h4-10,18H,3,11-12H2,1-2H3,(H,22,24).
What are the key properties of 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46442210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).