5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide

C17H10BrClN4O2 — CID 4501889

IUPAC5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Br)o1
InChIInChI=1S/C17H10BrClN4O2/c18-16-7-6-15(25-16)17(24)20-12-9-14-13(8-11(12)19)21-23(22-14)10-4-2-1-3-5-10/h1-9H,(H,20,24)
InChIKeyKDOKZZURQADCHJ-UHFFFAOYSA-N
MW417.65 g/mol
LogP4.68
Rot. Bonds3

About 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide

5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide (PubChem CID 4501889) has the molecular formula C17H10BrClN4O2 and a molecular weight of 417.65 g/mol. Its IUPAC name is 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide
PubChem CID4501889
Molecular FormulaC17H10BrClN4O2
Molecular Weight417.65 g/mol
Exact Mass415.97
IUPAC Name5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Br)o1
InChIInChI=1S/C17H10BrClN4O2/c18-16-7-6-15(25-16)17(24)20-12-9-14-13(8-11(12)19)21-23(22-14)10-4-2-1-3-5-10/h1-9H,(H,20,24)
InChIKeyKDOKZZURQADCHJ-UHFFFAOYSA-N
XLogP4.68
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.65
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide (CID 4501889) is 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide is O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
The InChIKey is KDOKZZURQADCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN4O2/c18-16-7-6-15(25-16)17(24)20-12-9-14-13(8-11(12)19)21-23(22-14)10-4-2-1-3-5-10/h1-9H,(H,20,24).
What are the key properties of 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide?
5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide has a molecular weight of 417.65 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-chloro-2-phenylbenzotriazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 4501889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).