N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide

C18H13NO4 — CID 122244115

IUPACN-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccoc2)o1)c1cc2ccccc2o1
InChIInChI=1S/C18H13NO4/c20-18(17-9-12-3-1-2-4-15(12)23-17)19-10-14-5-6-16(22-14)13-7-8-21-11-13/h1-9,11H,10H2,(H,19,20)
InChIKeyWVRBBKKBBMXLQY-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.22
Rot. Bonds4

About N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide

N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 122244115) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID122244115
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC NameN-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccoc2)o1)c1cc2ccccc2o1
InChIInChI=1S/C18H13NO4/c20-18(17-9-12-3-1-2-4-15(12)23-17)19-10-14-5-6-16(22-14)13-7-8-21-11-13/h1-9,11H,10H2,(H,19,20)
InChIKeyWVRBBKKBBMXLQY-UHFFFAOYSA-N
XLogP4.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[2-(furan-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90558282
N-[[5-(furan-3-yl)furan-2-yl]methyl]-2-methylsulfanylbenzamide
CID 126852637
N-[(4-aminophenyl)methyl]-6-(furan-3-yl)-1-benzofuran-2-carboxamide
CID 172553836
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 28669452
N-[[5-(furan-3-yl)furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 126852638
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide (CID 122244115) is N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ccc(-c2ccoc2)o1)c1cc2ccccc2o1.
What is the InChIKey of N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is WVRBBKKBBMXLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c20-18(17-9-12-3-1-2-4-15(12)23-17)19-10-14-5-6-16(22-14)13-7-8-21-11-13/h1-9,11H,10H2,(H,19,20).
What are the key properties of N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide?
N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)furan-2-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122244115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).