5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

C20H20ClNO3 — CID 86943414

IUPAC5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCO)CCc2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H20ClNO3/c1-14-17-13-16(21)7-8-18(17)25-19(14)20(24)22(11-12-23)10-9-15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3
InChIKeyAKIGIMGHYUVVLK-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.07
Rot. Bonds6

About 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide

5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (PubChem CID 86943414) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
PubChem CID86943414
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(CCO)CCc2ccccc2)oc2ccc(Cl)cc12
InChIInChI=1S/C20H20ClNO3/c1-14-17-13-16(21)7-8-18(17)25-19(14)20(24)22(11-12-23)10-9-15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3
InChIKeyAKIGIMGHYUVVLK-UHFFFAOYSA-N
XLogP4.07
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31236171
5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271406
N-benzyl-5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135850139
5-[(4-chloro-2-fluorophenyl)methyl-(2-phenylethyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 167174367
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 26587128
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
3-methyl-5-(3-phenylpropylamino)-1-benzofuran-2-carboxylic acid
CID 170307107
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
N-(2-hydroxyethyl)-2-methyl-N-(2-phenylethyl)benzamide
CID 111122128
N-(2-hydroxyethyl)-3-methyl-N-prop-2-enyl-1-benzofuran-2-carboxamide
CID 115776106
5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 107482857

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide (CID 86943414) is 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(CCO)CCc2ccccc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is AKIGIMGHYUVVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-14-17-13-16(21)7-8-18(17)25-19(14)20(24)22(11-12-23)10-9-15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3.
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide?
5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 86943414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).