N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide

C18H17NO2 — CID 48981916

IUPACN-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H17NO2/c1-3-13-8-4-5-10-15(13)19-18(20)16-11-14-9-6-7-12(2)17(14)21-16/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyAQVBQDWSYPYGKX-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.56
Rot. Bonds3

About N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide

N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide (PubChem CID 48981916) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
PubChem CID48981916
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc2cccc(C)c2o1
InChIInChI=1S/C18H17NO2/c1-3-13-8-4-5-10-15(13)19-18(20)16-11-14-9-6-7-12(2)17(14)21-16/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyAQVBQDWSYPYGKX-UHFFFAOYSA-N
XLogP4.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-8-methyl-2-oxochromene-3-carboxamide
CID 100794147
N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 100795319
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635
2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 75429273
7-ethoxy-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 40888860
2-(2-fluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114725093
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
CID 80999240

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide (CID 48981916) is N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide is CCc1ccccc1NC(=O)c1cc2cccc(C)c2o1.
What is the InChIKey of N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AQVBQDWSYPYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-13-8-4-5-10-15(13)19-18(20)16-11-14-9-6-7-12(2)17(14)21-16/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide?
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 48981916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).