N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide

C16H15FN4O2 — CID 111565667

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)NCC(O)c3ccccc3F)ccc21
InChIInChI=1S/C16H15FN4O2/c1-21-14-7-6-10(8-13(14)19-20-21)16(23)18-9-15(22)11-4-2-3-5-12(11)17/h2-8,15,22H,9H2,1H3,(H,18,23)
InChIKeyUATOWVAXGZFOBI-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide (PubChem CID 111565667) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide
PubChem CID111565667
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)NCC(O)c3ccccc3F)ccc21
InChIInChI=1S/C16H15FN4O2/c1-21-14-7-6-10(8-13(14)19-20-21)16(23)18-9-15(22)11-4-2-3-5-12(11)17/h2-8,15,22H,9H2,1H3,(H,18,23)
InChIKeyUATOWVAXGZFOBI-UHFFFAOYSA-N
XLogP1.57
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-1-methylbenzotriazole-5-carboxamide
CID 119404950
N-butyl-1-methylbenzotriazole-5-carboxamide
CID 71933405
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
N-(2-amino-2-methylpropyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119625904
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 111565594
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
CID 109478348
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
N-(2,5-difluorophenyl)-1-methylbenzotriazole-5-carboxamide
CID 53051524
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-1-ethylbenzotriazole-5-carboxamide
CID 94183539

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide (CID 111565667) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide is Cn1nnc2cc(C(=O)NCC(O)c3ccccc3F)ccc21.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide?
The InChIKey is UATOWVAXGZFOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-21-14-7-6-10(8-13(14)19-20-21)16(23)18-9-15(22)11-4-2-3-5-12(11)17/h2-8,15,22H,9H2,1H3,(H,18,23).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide has a molecular weight of 314.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 111565667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).