N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide

C21H16N2O5 — CID 1015970

IUPACN-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C21H16N2O5/c1-26-18-12-14(8-9-15(18)23-20(24)17-7-4-10-27-17)22-21(25)19-11-13-5-2-3-6-16(13)28-19/h2-12H,1H3,(H,22,25)(H,23,24)
InChIKeyPDMRBSNNLYFDHY-UHFFFAOYSA-N
MW376.37 g/mol
LogP4.54
Rot. Bonds5

About N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide

N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 1015970) has the molecular formula C21H16N2O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID1015970
Molecular FormulaC21H16N2O5
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC NameN-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccco1
InChIInChI=1S/C21H16N2O5/c1-26-18-12-14(8-9-15(18)23-20(24)17-7-4-10-27-17)22-21(25)19-11-13-5-2-3-6-16(13)28-19/h2-12H,1H3,(H,22,25)(H,23,24)
InChIKeyPDMRBSNNLYFDHY-UHFFFAOYSA-N
XLogP4.54
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 1015970) is N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide is COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccco1.
What is the InChIKey of N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is PDMRBSNNLYFDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O5/c1-26-18-12-14(8-9-15(18)23-20(24)17-7-4-10-27-17)22-21(25)19-11-13-5-2-3-6-16(13)28-19/h2-12H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide?
N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1015970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).