5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide

C17H11ClN2O4 — CID 2986929

IUPAC5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C17H11ClN2O4/c18-11-6-7-13(14(10-11)20(22)23)15-8-9-16(24-15)17(21)19-12-4-2-1-3-5-12/h1-10H,(H,19,21)
InChIKeyRJZWWUGCRNJRDM-UHFFFAOYSA-N
MW342.74 g/mol
LogP4.76
Rot. Bonds4

About 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide

5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide (PubChem CID 2986929) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
PubChem CID2986929
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC Name5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1
InChIInChI=1S/C17H11ClN2O4/c18-11-6-7-13(14(10-11)20(22)23)15-8-9-16(24-15)17(21)19-12-4-2-1-3-5-12/h1-10H,(H,19,21)
InChIKeyRJZWWUGCRNJRDM-UHFFFAOYSA-N
XLogP4.76
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-acetamidophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 17426635
N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5153944
5-(4-methoxy-2-nitrophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 7465119
1-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-hydroxyethanone
CID 101497321
5-chloro-2-nitro-N-phenylbenzamide
CID 4135938
5-(2-nitrophenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 23877668
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
CID 945636
5-(4-chloro-2-nitrophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)furan-2-carboxamide
CID 18180346
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 1254503
N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17092844

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide (CID 2986929) is 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide is O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1.
What is the InChIKey of 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide?
The InChIKey is RJZWWUGCRNJRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-11-6-7-13(14(10-11)20(22)23)15-8-9-16(24-15)17(21)19-12-4-2-1-3-5-12/h1-10H,(H,19,21).
What are the key properties of 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide?
5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide has a molecular weight of 342.74 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 2986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).