5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide

C17H9Cl4NO2 — CID 23995235

IUPAC5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H9Cl4NO2/c18-10-3-1-9(2-4-10)15-5-6-16(24-15)17(23)22-14-8-12(20)11(19)7-13(14)21/h1-8H,(H,22,23)
InChIKeyXNNFWIZANAYDHF-UHFFFAOYSA-N
MW401.08 g/mol
LogP6.81
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide

5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide (PubChem CID 23995235) has the molecular formula C17H9Cl4NO2 and a molecular weight of 401.08 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
PubChem CID23995235
Molecular FormulaC17H9Cl4NO2
Molecular Weight401.08 g/mol
Exact Mass398.94
IUPAC Name5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H9Cl4NO2/c18-10-3-1-9(2-4-10)15-5-6-16(24-15)17(23)22-14-8-12(20)11(19)7-13(14)21/h1-8H,(H,22,23)
InChIKeyXNNFWIZANAYDHF-UHFFFAOYSA-N
XLogP6.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.08
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)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

N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-chlorophenyl)-N-(2,3,4-trifluorophenyl)furan-2-carboxamide
CID 43029737
5-(4-chlorophenyl)-N-(2-fluoro-4-iodophenyl)furan-2-carboxamide
CID 2232193
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546
5-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 3393060
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3984652
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
N-(2-amino-6-chlorophenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 91689055
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
4-chloro-3-[[5-(4-chlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid
CID 4506647

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide (CID 23995235) is 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide?
The InChIKey is XNNFWIZANAYDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl4NO2/c18-10-3-1-9(2-4-10)15-5-6-16(24-15)17(23)22-14-8-12(20)11(19)7-13(14)21/h1-8H,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide?
5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide has a molecular weight of 401.08 g/mol, XLogP of 6.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 23995235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).