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

C17H11FN4O2 — CID 952245

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccco1
InChIInChI=1S/C17H11FN4O2/c18-11-3-6-13(7-4-11)22-20-14-8-5-12(10-15(14)21-22)19-17(23)16-2-1-9-24-16/h1-10H,(H,19,23)
InChIKeyKMFBSTKZKLUDMY-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.40
Rot. Bonds3

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

N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide (PubChem CID 952245) has the molecular formula C17H11FN4O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
PubChem CID952245
Molecular FormulaC17H11FN4O2
Molecular Weight322.30 g/mol
Exact Mass322.09
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccco1
InChIInChI=1S/C17H11FN4O2/c18-11-3-6-13(7-4-11)22-20-14-8-5-12(10-15(14)21-22)19-17(23)16-2-1-9-24-16/h1-10H,(H,19,23)
InChIKeyKMFBSTKZKLUDMY-UHFFFAOYSA-N
XLogP3.40
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
3-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 1362333
N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide
CID 1362350
4-ethyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 17101782
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-phenazin-2-ylfuran-2-carboxamide
CID 73349396
N-[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 661545
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579
N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide
CID 163367302
N-[2-(4-fluorophenyl)benzotriazol-5-yl]oxane-4-carboxamide
CID 163367306
N-(2,3-dimethylquinoxalin-6-yl)furan-2-carboxamide
CID 3734340

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide (CID 952245) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccco1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
The InChIKey is KMFBSTKZKLUDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2/c18-11-3-6-13(7-4-11)22-20-14-8-5-12(10-15(14)21-22)19-17(23)16-2-1-9-24-16/h1-10H,(H,19,23).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide has a molecular weight of 322.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 952245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).