N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide

C18H16N2O3 — CID 20857004

IUPACN-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-17(21)11-19-18(22)16-10-13-4-2-3-5-15(13)23-16/h2-10H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyWSWRCOFGCSEKEH-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.11
Rot. Bonds4

About N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide

N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide (PubChem CID 20857004) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
PubChem CID20857004
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-17(21)11-19-18(22)16-10-13-4-2-3-5-15(13)23-16/h2-10H,11H2,1H3,(H,19,22)(H,20,21)
InChIKeyWSWRCOFGCSEKEH-UHFFFAOYSA-N
XLogP3.11
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20856926
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 22776254
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194086
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
6-chloro-7-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-oxochromene-2-carboxamide
CID 155942915
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-[4-(butanoylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 3347136
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
methyl 3-[[2-[4-(1-benzofuran-2-carbonylamino)phenyl]acetyl]amino]propanoate
CID 60572698
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide (CID 20857004) is N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The InChIKey is WSWRCOFGCSEKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-6-8-14(9-7-12)20-17(21)11-19-18(22)16-10-13-4-2-3-5-15(13)23-16/h2-10H,11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20857004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).