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

C16H15FN4O — CID 53051721

IUPACN-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
SMILESCCCn1nnc2cc(C(=O)Nc3ccccc3F)ccc21
InChIInChI=1S/C16H15FN4O/c1-2-9-21-15-8-7-11(10-14(15)19-20-21)16(22)18-13-6-4-3-5-12(13)17/h3-8,10H,2,9H2,1H3,(H,18,22)
InChIKeyLIVOCEIFARCEBU-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.23
Rot. Bonds4

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

N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide (PubChem CID 53051721) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
PubChem CID53051721
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC NameN-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
SMILESCCCn1nnc2cc(C(=O)Nc3ccccc3F)ccc21
InChIInChI=1S/C16H15FN4O/c1-2-9-21-15-8-7-11(10-14(15)19-20-21)16(22)18-13-6-4-3-5-12(13)17/h3-8,10H,2,9H2,1H3,(H,18,22)
InChIKeyLIVOCEIFARCEBU-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051719
N-(2-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051599
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
ethyl 3-[(1-propylbenzotriazole-5-carbonyl)amino]benzoate
CID 53051718
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate
CID 18083223
1-ethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]benzotriazole-5-carboxamide
CID 41369673
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide (CID 53051721) is N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide is CCCn1nnc2cc(C(=O)Nc3ccccc3F)ccc21.
What is the InChIKey of N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide?
The InChIKey is LIVOCEIFARCEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-2-9-21-15-8-7-11(10-14(15)19-20-21)16(22)18-13-6-4-3-5-12(13)17/h3-8,10H,2,9H2,1H3,(H,18,22).
What are the key properties of N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide?
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide is sourced from PubChem (CID 53051721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).