N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide

C17H9Cl3N2O4 — CID 23819573

IUPACN-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C17H9Cl3N2O4/c18-11-3-1-9(7-13(11)20)15-5-6-16(26-15)17(23)21-14-8-10(22(24)25)2-4-12(14)19/h1-8H,(H,21,23)
InChIKeyGTAJDFKZASQTFN-UHFFFAOYSA-N
MW411.63 g/mol
LogP6.07
Rot. Bonds4

About N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide

N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 23819573) has the molecular formula C17H9Cl3N2O4 and a molecular weight of 411.63 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
PubChem CID23819573
Molecular FormulaC17H9Cl3N2O4
Molecular Weight411.63 g/mol
Exact Mass409.96
IUPAC NameN-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C17H9Cl3N2O4/c18-11-3-1-9(7-13(11)20)15-5-6-16(26-15)17(23)21-14-8-10(22(24)25)2-4-12(14)19/h1-8H,(H,21,23)
InChIKeyGTAJDFKZASQTFN-UHFFFAOYSA-N
XLogP6.07
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 56.07
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-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
5-(3,4-dichlorophenyl)-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]furan-2-carboxamide
CID 17103821
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
N-(3,4-dichlorophenyl)-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 1123621
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
N-(2-chloro-5-nitrophenyl)-2-(4-phenylphenyl)acetamide
CID 92556751
5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
CID 23995235
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
5-(3,4-dichlorophenyl)-N-(2-ethyl-4-iodophenyl)furan-2-carboxamide
CID 17117529

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide (CID 23819573) is N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is GTAJDFKZASQTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3N2O4/c18-11-3-1-9(7-13(11)20)15-5-6-16(26-15)17(23)21-14-8-10(22(24)25)2-4-12(14)19/h1-8H,(H,21,23).
What are the key properties of N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide?
N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide has a molecular weight of 411.63 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 23819573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).