N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide

C14H11FN4O — CID 1088543

IUPACN-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)Nc3ccccc3F)ccc21
InChIInChI=1S/C14H11FN4O/c1-19-13-7-6-9(8-12(13)17-18-19)14(20)16-11-5-3-2-4-10(11)15/h2-8H,1H3,(H,16,20)
InChIKeySWBBVNPCLFBCHS-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.36
Rot. Bonds2

About N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide

N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide (PubChem CID 1088543) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide
PubChem CID1088543
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide
SMILESCn1nnc2cc(C(=O)Nc3ccccc3F)ccc21
InChIInChI=1S/C14H11FN4O/c1-19-13-7-6-9(8-12(13)17-18-19)14(20)16-11-5-3-2-4-10(11)15/h2-8H,1H3,(H,16,20)
InChIKeySWBBVNPCLFBCHS-UHFFFAOYSA-N
XLogP2.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide (CID 1088543) is N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide is Cn1nnc2cc(C(=O)Nc3ccccc3F)ccc21.
What is the InChIKey of N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide?
The InChIKey is SWBBVNPCLFBCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-19-13-7-6-9(8-12(13)17-18-19)14(20)16-11-5-3-2-4-10(11)15/h2-8H,1H3,(H,16,20).
What are the key properties of N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide?
N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-methylbenzotriazole-5-carboxamide is sourced from PubChem (CID 1088543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).