N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide

C22H16N2O6 — CID 28670712

IUPACN-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C22H16N2O6/c25-13-18-7-8-19(29-18)14-3-1-5-16(11-14)23-22(26)21-10-9-20(30-21)15-4-2-6-17(12-15)24(27)28/h1-12,25H,13H2,(H,23,26)
InChIKeyVLSGJQDENYIKKI-UHFFFAOYSA-N
MW404.38 g/mol
LogP4.86
Rot. Bonds6

About N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide

N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 28670712) has the molecular formula C22H16N2O6 and a molecular weight of 404.38 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
PubChem CID28670712
Molecular FormulaC22H16N2O6
Molecular Weight404.38 g/mol
Exact Mass404.10
IUPAC NameN-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C22H16N2O6/c25-13-18-7-8-19(29-18)14-3-1-5-16(11-14)23-22(26)21-10-9-20(30-21)15-4-2-6-17(12-15)24(27)28/h1-12,25H,13H2,(H,23,26)
InChIKeyVLSGJQDENYIKKI-UHFFFAOYSA-N
XLogP4.86
TPSA118.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-nitrofuran-2-carboxamide
CID 28669553
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-(4-ethylphenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940023
N-(4-bromophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110113
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3501966
2-hydroxy-4-[[5-(3-nitrophenyl)furan-2-carbonyl]amino]benzoic acid
CID 28670699
N-[[3-(furan-2-carbonylamino)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 4042858
4-ethyl-N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28666821
N-(2-iodophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1289805
N-[4-(4-chlorophenoxy)phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3614971
N-(2-fluorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 940584
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide (CID 28670712) is N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is VLSGJQDENYIKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O6/c25-13-18-7-8-19(29-18)14-3-1-5-16(11-14)23-22(26)21-10-9-20(30-21)15-4-2-6-17(12-15)24(27)28/h1-12,25H,13H2,(H,23,26).
What are the key properties of N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide?
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide has a molecular weight of 404.38 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 28670712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).