N-phenacyl-1-benzofuran-3-carboxamide

C17H13NO3 — CID 64991447

IUPACN-phenacyl-1-benzofuran-3-carboxamide
SMILESO=C(CNC(=O)c1coc2ccccc12)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-15(12-6-2-1-3-7-12)10-18-17(20)14-11-21-16-9-5-4-8-13(14)16/h1-9,11H,10H2,(H,18,20)
InChIKeyZXWKNFHZIIPLDJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.05
Rot. Bonds4

About N-phenacyl-1-benzofuran-3-carboxamide

N-phenacyl-1-benzofuran-3-carboxamide (PubChem CID 64991447) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is N-phenacyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-phenacyl-1-benzofuran-3-carboxamide
PubChem CID64991447
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC NameN-phenacyl-1-benzofuran-3-carboxamide
SMILESO=C(CNC(=O)c1coc2ccccc12)c1ccccc1
InChIInChI=1S/C17H13NO3/c19-15(12-6-2-1-3-7-12)10-18-17(20)14-11-21-16-9-5-4-8-13(14)16/h1-9,11H,10H2,(H,18,20)
InChIKeyZXWKNFHZIIPLDJ-UHFFFAOYSA-N
XLogP3.05
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805
N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
CID 82683747
2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165190
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
N-hex-5-ynyl-1-benzofuran-3-carboxamide
CID 103757829
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807

Frequently Asked Questions

What is the IUPAC name of N-phenacyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-phenacyl-1-benzofuran-3-carboxamide (CID 64991447) is N-phenacyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-phenacyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-phenacyl-1-benzofuran-3-carboxamide is O=C(CNC(=O)c1coc2ccccc12)c1ccccc1.
What is the InChIKey of N-phenacyl-1-benzofuran-3-carboxamide?
The InChIKey is ZXWKNFHZIIPLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-15(12-6-2-1-3-7-12)10-18-17(20)14-11-21-16-9-5-4-8-13(14)16/h1-9,11H,10H2,(H,18,20).
What are the key properties of N-phenacyl-1-benzofuran-3-carboxamide?
N-phenacyl-1-benzofuran-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenacyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 64991447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).