5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide

C23H14BrFN4O2 — CID 17219986

IUPAC5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C23H14BrFN4O2/c24-15-3-1-14(2-4-15)21-11-12-22(31-21)23(30)26-17-7-10-19-20(13-17)28-29(27-19)18-8-5-16(25)6-9-18/h1-13H,(H,26,30)
InChIKeyAVDKEWPLEBRGEZ-UHFFFAOYSA-N
MW477.29 g/mol
LogP5.83
Rot. Bonds4

About 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide

5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 17219986) has the molecular formula C23H14BrFN4O2 and a molecular weight of 477.29 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID17219986
Molecular FormulaC23H14BrFN4O2
Molecular Weight477.29 g/mol
Exact Mass476.03
IUPAC Name5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C23H14BrFN4O2/c24-15-3-1-14(2-4-15)21-11-12-22(31-21)23(30)26-17-7-10-19-20(13-17)28-29(27-19)18-8-5-16(25)6-9-18/h1-13H,(H,26,30)
InChIKeyAVDKEWPLEBRGEZ-UHFFFAOYSA-N
XLogP5.83
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.29
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide (CID 17219986) is 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is AVDKEWPLEBRGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrFN4O2/c24-15-3-1-14(2-4-15)21-11-12-22(31-21)23(30)26-17-7-10-19-20(13-17)28-29(27-19)18-8-5-16(25)6-9-18/h1-13H,(H,26,30).
What are the key properties of 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 477.29 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 17219986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).