1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide

C15H16ClFN4O2 — CID 75445547

IUPAC1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
SMILESO=C(NC1CCCC1CO)c1cn(-c2cccc(Cl)c2F)nn1
InChIInChI=1S/C15H16ClFN4O2/c16-10-4-2-6-13(14(10)17)21-7-12(19-20-21)15(23)18-11-5-1-3-9(11)8-22/h2,4,6-7,9,11,22H,1,3,5,8H2,(H,18,23)
InChIKeyCGBNUIRZSNSXQL-UHFFFAOYSA-N
MW338.77 g/mol
LogP1.95
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide

1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide (PubChem CID 75445547) has the molecular formula C15H16ClFN4O2 and a molecular weight of 338.77 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
PubChem CID75445547
Molecular FormulaC15H16ClFN4O2
Molecular Weight338.77 g/mol
Exact Mass338.09
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide
SMILESO=C(NC1CCCC1CO)c1cn(-c2cccc(Cl)c2F)nn1
InChIInChI=1S/C15H16ClFN4O2/c16-10-4-2-6-13(14(10)17)21-7-12(19-20-21)15(23)18-11-5-1-3-9(11)8-22/h2,4,6-7,9,11,22H,1,3,5,8H2,(H,18,23)
InChIKeyCGBNUIRZSNSXQL-UHFFFAOYSA-N
XLogP1.95
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide (CID 75445547) is 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide is O=C(NC1CCCC1CO)c1cn(-c2cccc(Cl)c2F)nn1.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
The InChIKey is CGBNUIRZSNSXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4O2/c16-10-4-2-6-13(14(10)17)21-7-12(19-20-21)15(23)18-11-5-1-3-9(11)8-22/h2,4,6-7,9,11,22H,1,3,5,8H2,(H,18,23).
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide?
1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide has a molecular weight of 338.77 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]triazole-4-carboxamide is sourced from PubChem (CID 75445547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).