N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide

C20H16N2O3 — CID 172553836

IUPACN-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide
SMILESNc1ccc(CNC(=O)c2cc3ccc(-c4ccoc4)cc3o2)cc1
InChIInChI=1S/C20H16N2O3/c21-17-5-1-13(2-6-17)11-22-20(23)19-10-15-4-3-14(9-18(15)25-19)16-7-8-24-12-16/h1-10,12H,11,21H2,(H,22,23)
InChIKeyJARZBJYVQBLIMO-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.20
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide

N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 172553836) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide
PubChem CID172553836
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide
SMILESNc1ccc(CNC(=O)c2cc3ccc(-c4ccoc4)cc3o2)cc1
InChIInChI=1S/C20H16N2O3/c21-17-5-1-13(2-6-17)11-22-20(23)19-10-15-4-3-14(9-18(15)25-19)16-7-8-24-12-16/h1-10,12H,11,21H2,(H,22,23)
InChIKeyJARZBJYVQBLIMO-UHFFFAOYSA-N
XLogP4.20
TPSA81.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(furan-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 172553823
N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 122244115
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
N-[(4-carbamoylphenyl)methyl]-6-chloro-1-benzofuran-2-carboxamide
CID 177140063
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
2-chloro-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103308
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
CID 119103319
2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103328
[3-(furan-3-yl)phenyl]methylcarbamic acid
CID 86653352
3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103306

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide (CID 172553836) is N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide is Nc1ccc(CNC(=O)c2cc3ccc(-c4ccoc4)cc3o2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is JARZBJYVQBLIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c21-17-5-1-13(2-6-17)11-22-20(23)19-10-15-4-3-14(9-18(15)25-19)16-7-8-24-12-16/h1-10,12H,11,21H2,(H,22,23).
What are the key properties of N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide?
N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 172553836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).