5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide

C23H14Cl2N4O2 — CID 1490242

IUPAC5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H14Cl2N4O2/c24-15-6-4-14(5-7-15)21-10-11-22(31-21)23(30)26-17-8-9-19-20(13-17)28-29(27-19)18-3-1-2-16(25)12-18/h1-13H,(H,26,30)
InChIKeyONXZTQLSJYFECO-UHFFFAOYSA-N
MW449.30 g/mol
LogP6.24
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 1490242) has the molecular formula C23H14Cl2N4O2 and a molecular weight of 449.30 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID1490242
Molecular FormulaC23H14Cl2N4O2
Molecular Weight449.30 g/mol
Exact Mass448.05
IUPAC Name5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C23H14Cl2N4O2/c24-15-6-4-14(5-7-15)21-10-11-22(31-21)23(30)26-17-8-9-19-20(13-17)28-29(27-19)18-3-1-2-16(25)12-18/h1-13H,(H,26,30)
InChIKeyONXZTQLSJYFECO-UHFFFAOYSA-N
XLogP6.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.30
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide (CID 1490242) is 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is ONXZTQLSJYFECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O2/c24-15-6-4-14(5-7-15)21-10-11-22(31-21)23(30)26-17-8-9-19-20(13-17)28-29(27-19)18-3-1-2-16(25)12-18/h1-13H,(H,26,30).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 449.30 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(3-chlorophenyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 1490242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).