2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide

C20H21ClN2O3 — CID 112798738

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C20H21ClN2O3/c1-12(19-10-14-6-4-5-7-17(14)26-19)22-13(2)20(24)23-16-11-15(21)8-9-18(16)25-3/h4-13,22H,1-3H3,(H,23,24)
InChIKeyFWPUVTXFZQYPRW-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.77
Rot. Bonds6

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 112798738) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID112798738
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C20H21ClN2O3/c1-12(19-10-14-6-4-5-7-17(14)26-19)22-13(2)20(24)23-16-11-15(21)8-9-18(16)25-3/h4-13,22H,1-3H3,(H,23,24)
InChIKeyFWPUVTXFZQYPRW-UHFFFAOYSA-N
XLogP4.77
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 166198122
N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 112810932
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 112801580
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2,4-dichlorophenyl)ethylamino]propanamide
CID 46527155
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide (CID 112798738) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is FWPUVTXFZQYPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12(19-10-14-6-4-5-7-17(14)26-19)22-13(2)20(24)23-16-11-15(21)8-9-18(16)25-3/h4-13,22H,1-3H3,(H,23,24).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 372.85 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 112798738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).