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

C18H17FN4O — CID 163367302

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C1CCCC1
InChIInChI=1S/C18H17FN4O/c19-13-5-8-15(9-6-13)23-21-16-10-7-14(11-17(16)22-23)20-18(24)12-3-1-2-4-12/h5-12H,1-4H2,(H,20,24)
InChIKeyYJEVVXFMGGEDKB-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.69
Rot. Bonds3

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

N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide (PubChem CID 163367302) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide
PubChem CID163367302
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C1CCCC1
InChIInChI=1S/C18H17FN4O/c19-13-5-8-15(9-6-13)23-21-16-10-7-14(11-17(16)22-23)20-18(24)12-3-1-2-4-12/h5-12H,1-4H2,(H,20,24)
InChIKeyYJEVVXFMGGEDKB-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide (CID 163367302) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide is O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C1CCCC1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide?
The InChIKey is YJEVVXFMGGEDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-13-5-8-15(9-6-13)23-21-16-10-7-14(11-17(16)22-23)20-18(24)12-3-1-2-4-12/h5-12H,1-4H2,(H,20,24).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)benzotriazol-5-yl]cyclopentanecarboxamide is sourced from PubChem (CID 163367302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).