2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

C18H12Cl2N2O3 — CID 2859428

IUPAC2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1cc(-c2ccc(C=NNc3ccc(Cl)cc3)o2)ccc1Cl
InChIInChI=1S/C18H12Cl2N2O3/c19-12-2-4-13(5-3-12)22-21-10-14-6-8-17(25-14)11-1-7-16(20)15(9-11)18(23)24/h1-10,22H,(H,23,24)
InChIKeyHKWMOIVOYBWHTM-UHFFFAOYSA-N
MW375.21 g/mol
LogP5.40
Rot. Bonds5

About 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 2859428) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID2859428
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC Name2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1cc(-c2ccc(C=NNc3ccc(Cl)cc3)o2)ccc1Cl
InChIInChI=1S/C18H12Cl2N2O3/c19-12-2-4-13(5-3-12)22-21-10-14-6-8-17(25-14)11-1-7-16(20)15(9-11)18(23)24/h1-10,22H,(H,23,24)
InChIKeyHKWMOIVOYBWHTM-UHFFFAOYSA-N
XLogP5.40
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.21
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 2859428) is 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is O=C(O)c1cc(-c2ccc(C=NNc3ccc(Cl)cc3)o2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is HKWMOIVOYBWHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c19-12-2-4-13(5-3-12)22-21-10-14-6-8-17(25-14)11-1-7-16(20)15(9-11)18(23)24/h1-10,22H,(H,23,24).
What are the key properties of 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 375.21 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[[(4-chlorophenyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 2859428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).