5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide

C17H11ClN2O4 — CID 945636

IUPAC5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H11ClN2O4/c18-14-7-2-1-6-13(14)15-8-9-16(24-15)17(21)19-11-4-3-5-12(10-11)20(22)23/h1-10H,(H,19,21)
InChIKeyMGHQLWONXNHKIB-UHFFFAOYSA-N
MW342.74 g/mol
LogP4.76
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide (PubChem CID 945636) has the molecular formula C17H11ClN2O4 and a molecular weight of 342.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
PubChem CID945636
Molecular FormulaC17H11ClN2O4
Molecular Weight342.74 g/mol
Exact Mass342.04
IUPAC Name5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C17H11ClN2O4/c18-14-7-2-1-6-13(14)15-8-9-16(24-15)17(21)19-11-4-3-5-12(10-11)20(22)23/h1-10H,(H,19,21)
InChIKeyMGHQLWONXNHKIB-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'}

Analyze 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-chlorophenyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 9072315
5-(2,3-dichlorophenyl)-N-(4-nitrophenyl)furan-2-carboxamide
CID 2914733
5-(2-chlorophenyl)-N-[(4-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 10668776
5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
N-(3-anilinophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 90448753
5-iodo-N-(3-nitrophenyl)furan-2-carboxamide
CID 71370973
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 23849697
N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 1123621
N-[3-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 28670712
5-(2-chlorophenyl)-N-[4-(cyclopropanecarbonylamino)phenyl]furan-2-carboxamide
CID 25276463

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide (CID 945636) is 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide is O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide?
The InChIKey is MGHQLWONXNHKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O4/c18-14-7-2-1-6-13(14)15-8-9-16(24-15)17(21)19-11-4-3-5-12(10-11)20(22)23/h1-10H,(H,19,21).
What are the key properties of 5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(3-nitrophenyl)furan-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-(2-chlorophenyl)-N-(3-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 945636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).