N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide

C24H17N3O5 — CID 3127976

IUPACN-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1ccccc1
InChIInChI=1S/C24H17N3O5/c28-23(17-5-2-1-3-6-17)25-18-7-4-8-19(15-18)26-24(29)22-14-13-21(32-22)16-9-11-20(12-10-16)27(30)31/h1-15H,(H,25,28)(H,26,29)
InChIKeyWDRPDMSXELYOIZ-UHFFFAOYSA-N
MW427.42 g/mol
LogP5.36
Rot. Bonds6

About N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide

N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide (PubChem CID 3127976) has the molecular formula C24H17N3O5 and a molecular weight of 427.42 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
PubChem CID3127976
Molecular FormulaC24H17N3O5
Molecular Weight427.42 g/mol
Exact Mass427.12
IUPAC NameN-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1ccccc1
InChIInChI=1S/C24H17N3O5/c28-23(17-5-2-1-3-6-17)25-18-7-4-8-19(15-18)26-24(29)22-14-13-21(32-22)16-9-11-20(12-10-16)27(30)31/h1-15H,(H,25,28)(H,26,29)
InChIKeyWDRPDMSXELYOIZ-UHFFFAOYSA-N
XLogP5.36
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.42
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
N-[3-(4-nitrophenyl)phenyl]benzamide
CID 170346171
5-(4-nitrophenyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
CID 6129980
5-(4-nitrophenyl)-N-[(3-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 3567710
5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 7962022
5-(4-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4572523
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
5-(4-nitrophenyl)-N-(2-phenoxyphenyl)furan-2-carboxamide
CID 9452991
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide (CID 3127976) is N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1ccccc1.
What is the InChIKey of N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
The InChIKey is WDRPDMSXELYOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O5/c28-23(17-5-2-1-3-6-17)25-18-7-4-8-19(15-18)26-24(29)22-14-13-21(32-22)16-9-11-20(12-10-16)27(30)31/h1-15H,(H,25,28)(H,26,29).
What are the key properties of N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide?
N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-5-(4-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 3127976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).