N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

C19H18ClNO3 — CID 8885848

IUPACN-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3ccc(C)cc3Cl)c(C)c2c1
InChIInChI=1S/C19H18ClNO3/c1-4-23-13-6-8-17-14(10-13)12(3)18(24-17)19(22)21-16-7-5-11(2)9-15(16)20/h5-10H,4H2,1-3H3,(H,21,22)
InChIKeyQICALBSIHKUDDT-UHFFFAOYSA-N
MW343.81 g/mol
LogP5.35
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8885848) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8885848
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC NameN-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3ccc(C)cc3Cl)c(C)c2c1
InChIInChI=1S/C19H18ClNO3/c1-4-23-13-6-8-17-14(10-13)12(3)18(24-17)19(22)21-16-7-5-11(2)9-15(16)20/h5-10H,4H2,1-3H3,(H,21,22)
InChIKeyQICALBSIHKUDDT-UHFFFAOYSA-N
XLogP5.35
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.81
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 42907524
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8736680
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2412037
5-ethoxy-3-methyl-N-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 8892336
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391
5-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 24588190

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8885848) is N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3ccc(C)cc3Cl)c(C)c2c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QICALBSIHKUDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-4-23-13-6-8-17-14(10-13)12(3)18(24-17)19(22)21-16-7-5-11(2)9-15(16)20/h5-10H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8885848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).