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

C17H10BrFN4O2 — CID 1363275

IUPAC5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrFN4O2/c18-16-8-7-15(25-16)17(24)20-11-3-6-13-14(9-11)22-23(21-13)12-4-1-10(19)2-5-12/h1-9H,(H,20,24)
InChIKeyYNFBOICDGMCFBX-UHFFFAOYSA-N
MW401.20 g/mol
LogP4.17
Rot. Bonds3

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

5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 1363275) has the molecular formula C17H10BrFN4O2 and a molecular weight of 401.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID1363275
Molecular FormulaC17H10BrFN4O2
Molecular Weight401.20 g/mol
Exact Mass400.00
IUPAC Name5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrFN4O2/c18-16-8-7-15(25-16)17(24)20-11-3-6-13-14(9-11)22-23(21-13)12-4-1-10(19)2-5-12/h1-9H,(H,20,24)
InChIKeyYNFBOICDGMCFBX-UHFFFAOYSA-N
XLogP4.17
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.20
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-phenyl-2H-1,2,3-benzotriazol-5-yl)-2-furamide
CID 3236674
3-Furan-2-yl-N-(2-phenyl-2H-benzotriazol-5-yl)-acrylamide
CID 727009
N-(6-chloro-2-phenyl-2H-benzotriazol-5-yl)furan-2-carboxamide
CID 851527
Furan-2-carboxylic acid (2-phenyl-2H-benzotriazol-5-yl)-amide
CID 3126582
N-[2-(4-methylphenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 738661
Benzotriazol-1-yl-(5-bromofuran-2-yl)methanone
CID 871570
N-(2-phenylbenzotriazol-5-yl)-1-benzofuran-2-carboxamide
CID 2164520
Cambridge id 6172553
CID 875336
N-(1-benzyl-7-fluorobenzotriazol-4-yl)furan-2-carboxamide
CID 177851771
N-[2-(3-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-2-furamide
CID 711731
N-[2-(4-methoxyphenyl)-2H-benzotriazol-5-yl]-5-nitrofuran-2-carboxamide
CID 1104244
5-bromo-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide
CID 1277235

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide (CID 1363275) is 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is YNFBOICDGMCFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN4O2/c18-16-8-7-15(25-16)17(24)20-11-3-6-13-14(9-11)22-23(21-13)12-4-1-10(19)2-5-12/h1-9H,(H,20,24).
What are the key properties of 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 401.20 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 1363275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).