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

C17H9Cl3N2O4 — CID 5153944

IUPACN-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H9Cl3N2O4/c18-9-1-3-12(20)11(7-9)15-5-6-16(26-15)17(23)21-13-4-2-10(19)8-14(13)22(24)25/h1-8H,(H,21,23)
InChIKeyGEGFRRXEEJLBFG-UHFFFAOYSA-N
MW411.63 g/mol
LogP6.07
Rot. Bonds4

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

N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 5153944) has the molecular formula C17H9Cl3N2O4 and a molecular weight of 411.63 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
PubChem CID5153944
Molecular FormulaC17H9Cl3N2O4
Molecular Weight411.63 g/mol
Exact Mass409.96
IUPAC NameN-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H9Cl3N2O4/c18-9-1-3-12(20)11(7-9)15-5-6-16(26-15)17(23)21-13-4-2-10(19)8-14(13)22(24)25/h1-8H,(H,21,23)
InChIKeyGEGFRRXEEJLBFG-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

5-(2-chlorophenyl)-N-(2-nitrophenyl)furan-2-carboxamide
CID 2946540
5-(4-chloro-2-nitrophenyl)-N-phenylfuran-2-carboxamide
CID 2986929
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3643749
N-(2,5-dichlorophenyl)-5-(3-nitrophenyl)furan-2-carboxamide
CID 1110114
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
N-[2-chloro-5-(propanoylamino)phenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 22776195
N-(2,4-difluorophenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 801149
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653
N-(3-benzamidophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 1007757
N-(3-acetylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 2892817
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2-nitrophenyl)furan-2-carboxamide
CID 1315583
N-(4-chloro-2-iodophenyl)-5-nitrofuran-2-carboxamide
CID 113257818

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide (CID 5153944) is N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is GEGFRRXEEJLBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3N2O4/c18-9-1-3-12(20)11(7-9)15-5-6-16(26-15)17(23)21-13-4-2-10(19)8-14(13)22(24)25/h1-8H,(H,21,23).
What are the key properties of N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide?
N-(4-chloro-2-nitrophenyl)-5-(2,5-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-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 5153944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).