N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide

C19H16N2O4 — CID 20856926

IUPACN-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H16N2O4/c1-12(22)13-6-4-7-15(9-13)21-18(23)11-20-19(24)17-10-14-5-2-3-8-16(14)25-17/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeySZHGGXPAEGWDFE-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.00
Rot. Bonds5

About N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide

N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide (PubChem CID 20856926) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
PubChem CID20856926
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H16N2O4/c1-12(22)13-6-4-7-15(9-13)21-18(23)11-20-19(24)17-10-14-5-2-3-8-16(14)25-17/h2-10H,11H2,1H3,(H,20,24)(H,21,23)
InChIKeySZHGGXPAEGWDFE-UHFFFAOYSA-N
XLogP3.00
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20857004
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 168521643
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22775944
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999507

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide (CID 20856926) is N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide is CC(=O)c1cccc(NC(=O)CNC(=O)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
The InChIKey is SZHGGXPAEGWDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-12(22)13-6-4-7-15(9-13)21-18(23)11-20-19(24)17-10-14-5-2-3-8-16(14)25-17/h2-10H,11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide?
N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20856926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).