2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

C20H21ClN2O3 — CID 112801580

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C20H21ClN2O3/c1-12-8-16(19(25-3)10-15(12)21)23-20(24)11-22-13(2)18-9-14-6-4-5-7-17(14)26-18/h4-10,13,22H,11H2,1-3H3,(H,23,24)
InChIKeyHRUPBAJABMBLJM-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.69
Rot. Bonds6

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (PubChem CID 112801580) 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-(4-chloro-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
PubChem CID112801580
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(C)c1cc2ccccc2o1
InChIInChI=1S/C20H21ClN2O3/c1-12-8-16(19(25-3)10-15(12)21)23-20(24)11-22-13(2)18-9-14-6-4-5-7-17(14)26-18/h4-10,13,22H,11H2,1-3H3,(H,23,24)
InChIKeyHRUPBAJABMBLJM-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
CID 112801490
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 40987640
N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylbutanamide
CID 4262485
2-[1-(1-benzofuran-2-yl)ethylamino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 112801530
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 7402984
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 112798738
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9307080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CID 112801580) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is COc1cc(Cl)c(C)cc1NC(=O)CNC(C)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is HRUPBAJABMBLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12-8-16(19(25-3)10-15(12)21)23-20(24)11-22-13(2)18-9-14-6-4-5-7-17(14)26-18/h4-10,13,22H,11H2,1-3H3,(H,23,24).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 372.85 g/mol, XLogP of 4.69, 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-(4-chloro-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 112801580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).