4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride

C19H9Cl3F3NO3 — CID 87548006

IUPAC4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C19H9Cl3F3NO3/c20-10-3-1-9(2-4-10)15-8-13(16(29-15)19(23,24)25)18(28)26-14-7-11(21)5-6-12(14)17(22)27/h1-8H,(H,26,28)
InChIKeyGQZQZIVIVIIIOV-UHFFFAOYSA-N
MW462.64 g/mol
LogP6.90
Rot. Bonds4

About 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride

4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride (PubChem CID 87548006) has the molecular formula C19H9Cl3F3NO3 and a molecular weight of 462.64 g/mol. Its IUPAC name is 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride.

Molecular Properties

Compound Name4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride
PubChem CID87548006
Molecular FormulaC19H9Cl3F3NO3
Molecular Weight462.64 g/mol
Exact Mass460.96
IUPAC Name4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C19H9Cl3F3NO3/c20-10-3-1-9(2-4-10)15-8-13(16(29-15)19(23,24)25)18(28)26-14-7-11(21)5-6-12(14)17(22)27/h1-8H,(H,26,28)
InChIKeyGQZQZIVIVIIIOV-UHFFFAOYSA-N
XLogP6.90
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride?
The IUPAC name of 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride (CID 87548006) is 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride.
What is the SMILES notation for 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride?
The canonical SMILES for 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride is O=C(Cl)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride?
The InChIKey is GQZQZIVIVIIIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl3F3NO3/c20-10-3-1-9(2-4-10)15-8-13(16(29-15)19(23,24)25)18(28)26-14-7-11(21)5-6-12(14)17(22)27/h1-8H,(H,26,28).
What are the key properties of 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride?
4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride has a molecular weight of 462.64 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride is sourced from PubChem (CID 87548006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).