2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid

C18H11Cl2NO4 — CID 991976

IUPAC2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H11Cl2NO4/c19-10-5-6-11(13(20)9-10)15-7-8-16(25-15)17(22)21-14-4-2-1-3-12(14)18(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKeyTZMUHEJOIYHPOX-UHFFFAOYSA-N
MW376.20 g/mol
LogP5.20
Rot. Bonds4

About 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid

2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid (PubChem CID 991976) has the molecular formula C18H11Cl2NO4 and a molecular weight of 376.20 g/mol. Its IUPAC name is 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid
PubChem CID991976
Molecular FormulaC18H11Cl2NO4
Molecular Weight376.20 g/mol
Exact Mass375.01
IUPAC Name2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H11Cl2NO4/c19-10-5-6-11(13(20)9-10)15-7-8-16(25-15)17(22)21-14-4-2-1-3-12(14)18(23)24/h1-9H,(H,21,22)(H,23,24)
InChIKeyTZMUHEJOIYHPOX-UHFFFAOYSA-N
XLogP5.20
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.20
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_I(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid (CID 991976) is 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid?
The InChIKey is TZMUHEJOIYHPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO4/c19-10-5-6-11(13(20)9-10)15-7-8-16(25-15)17(22)21-14-4-2-1-3-12(14)18(23)24/h1-9H,(H,21,22)(H,23,24).
What are the key properties of 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid?
2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid has a molecular weight of 376.20 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 991976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).