5-amino-N-benzyl-1-benzofuran-2-carboxamide

C16H14N2O2 — CID 61089712

IUPAC5-amino-N-benzyl-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C16H14N2O2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h1-9H,10,17H2,(H,18,19)
InChIKeyBZERUHNNXZMYIK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.94
Rot. Bonds3

About 5-amino-N-benzyl-1-benzofuran-2-carboxamide

5-amino-N-benzyl-1-benzofuran-2-carboxamide (PubChem CID 61089712) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-N-benzyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-1-benzofuran-2-carboxamide
PubChem CID61089712
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-amino-N-benzyl-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCc3ccccc3)cc2c1
InChIInChI=1S/C16H14N2O2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h1-9H,10,17H2,(H,18,19)
InChIKeyBZERUHNNXZMYIK-UHFFFAOYSA-N
XLogP2.94
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62321760
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62995244
5-amino-N-(1,2-oxazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 81170503
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 106368573
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
CID 61095225

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-benzyl-1-benzofuran-2-carboxamide (CID 61089712) is 5-amino-N-benzyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)NCc3ccccc3)cc2c1.
What is the InChIKey of 5-amino-N-benzyl-1-benzofuran-2-carboxamide?
The InChIKey is BZERUHNNXZMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-13-6-7-14-12(8-13)9-15(20-14)16(19)18-10-11-4-2-1-3-5-11/h1-9H,10,17H2,(H,18,19).
What are the key properties of 5-amino-N-benzyl-1-benzofuran-2-carboxamide?
5-amino-N-benzyl-1-benzofuran-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61089712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).