N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide

C19H15N3O5 — CID 17426635

IUPACN-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C19H15N3O5/c1-12(23)20-13-6-8-14(9-7-13)21-19(24)18-11-10-17(27-18)15-4-2-3-5-16(15)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyOREGKJMMFBCVPQ-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.07
Rot. Bonds5

About N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 17426635) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID17426635
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C19H15N3O5/c1-12(23)20-13-6-8-14(9-7-13)21-19(24)18-11-10-17(27-18)15-4-2-3-5-16(15)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24)
InChIKeyOREGKJMMFBCVPQ-UHFFFAOYSA-N
XLogP4.07
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.07
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

5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
N-(4-butan-2-ylphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 23880882
ethyl 4-[[5-(2-nitrophenyl)furan-2-carbonyl]amino]benzoate
CID 1347194
1-[5-(2-nitrophenyl)furan-2-yl]ethanone
CID 2755858
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 4568237
N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2953584
N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17118246
5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
CID 2986929
N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1348898
5-(2-nitrophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
CID 17219688

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 17426635) is N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is OREGKJMMFBCVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-12(23)20-13-6-8-14(9-7-13)21-19(24)18-11-10-17(27-18)15-4-2-3-5-16(15)22(25)26/h2-11H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 17426635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).