2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide

C17H16N2O2 — CID 80700430

IUPAC2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NCc1coc2ccccc12
InChIInChI=1S/C17H16N2O2/c18-17(20)9-12-5-1-3-7-15(12)19-10-13-11-21-16-8-4-2-6-14(13)16/h1-8,11,19H,9-10H2,(H2,18,20)
InChIKeyVYIFYSPUPSCCRA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.07
Rot. Bonds5

About 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide

2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide (PubChem CID 80700430) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
PubChem CID80700430
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NCc1coc2ccccc12
InChIInChI=1S/C17H16N2O2/c18-17(20)9-12-5-1-3-7-15(12)19-10-13-11-21-16-8-4-2-6-14(13)16/h1-8,11,19H,9-10H2,(H2,18,20)
InChIKeyVYIFYSPUPSCCRA-UHFFFAOYSA-N
XLogP3.07
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-benzofuran-3-ylmethylamino)benzoate
CID 80701199
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
3-(1-benzofuran-3-ylmethylamino)-4-chlorobenzamide
CID 80700592
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
2-[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43789637
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058
N-(1-benzofuran-3-ylmethyl)-2-propan-2-yloxyaniline
CID 80700432
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide
CID 61317267
N-(1-benzofuran-3-ylmethyl)-3-chloro-2-methylaniline
CID 80701190
2-[2-(1-benzofuran-2-ylmethylamino)phenyl]acetamide
CID 43738402
5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608536

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide (CID 80700430) is 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide is NC(=O)Cc1ccccc1NCc1coc2ccccc12.
What is the InChIKey of 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide?
The InChIKey is VYIFYSPUPSCCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-17(20)9-12-5-1-3-7-15(12)19-10-13-11-21-16-8-4-2-6-14(13)16/h1-8,11,19H,9-10H2,(H2,18,20).
What are the key properties of 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide?
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide has a molecular weight of 280.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 80700430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).