N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H17NO2 — CID 47114339

IUPACN-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCc1ccc(NC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H17NO2/c1-2-12-7-9-14(10-8-12)18-17(19)16-11-13-5-3-4-6-15(13)20-16/h3-10,16H,2,11H2,1H3,(H,18,19)
InChIKeyJTXXIQVDEFLXBO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.19
Rot. Bonds3

About N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 47114339) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID47114339
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCc1ccc(NC(=O)C2Cc3ccccc3O2)cc1
InChIInChI=1S/C17H17NO2/c1-2-12-7-9-14(10-8-12)18-17(19)16-11-13-5-3-4-6-15(13)20-16/h3-10,16H,2,11H2,1H3,(H,18,19)
InChIKeyJTXXIQVDEFLXBO-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
(2R)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076169
(2S)-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9076172
(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42936919
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
(2S)-4-acetyl-N-(4-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51640478

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 47114339) is N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CCc1ccc(NC(=O)C2Cc3ccccc3O2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JTXXIQVDEFLXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-12-7-9-14(10-8-12)18-17(19)16-11-13-5-3-4-6-15(13)20-16/h3-10,16H,2,11H2,1H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47114339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).