5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide

C23H15ClN4O2 — CID 15991141

IUPAC5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C23H15ClN4O2/c24-16-6-4-5-15(13-16)21-11-12-22(30-21)23(29)25-17-9-10-19-20(14-17)27-28(26-19)18-7-2-1-3-8-18/h1-14H,(H,25,29)
InChIKeyAFXJJMROLLYXOL-UHFFFAOYSA-N
MW414.85 g/mol
LogP5.59
Rot. Bonds4

About 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide

5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide (PubChem CID 15991141) has the molecular formula C23H15ClN4O2 and a molecular weight of 414.85 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
PubChem CID15991141
Molecular FormulaC23H15ClN4O2
Molecular Weight414.85 g/mol
Exact Mass414.09
IUPAC Name5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C23H15ClN4O2/c24-16-6-4-5-15(13-16)21-11-12-22(30-21)23(29)25-17-9-10-19-20(14-17)27-28(26-19)18-7-2-1-3-8-18/h1-14H,(H,25,29)
InChIKeyAFXJJMROLLYXOL-UHFFFAOYSA-N
XLogP5.59
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.85
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide (CID 15991141) is 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The InChIKey is AFXJJMROLLYXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4O2/c24-16-6-4-5-15(13-16)21-11-12-22(30-21)23(29)25-17-9-10-19-20(14-17)27-28(26-19)18-7-2-1-3-8-18/h1-14H,(H,25,29).
What are the key properties of 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide has a molecular weight of 414.85 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(2-phenylbenzotriazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 15991141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).