3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide

C17H15FN4O — CID 146152232

IUPAC3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)n1)c1cccc(F)c1
InChIInChI=1S/C17H15FN4O/c18-14-6-4-5-13(11-14)17(23)19-10-9-15-12-20-22(21-15)16-7-2-1-3-8-16/h1-8,11-12H,9-10H2,(H,19,23)
InChIKeyRJNXQICQPUJMBM-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.38
Rot. Bonds5

About 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide

3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide (PubChem CID 146152232) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
PubChem CID146152232
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cnn(-c2ccccc2)n1)c1cccc(F)c1
InChIInChI=1S/C17H15FN4O/c18-14-6-4-5-13(11-14)17(23)19-10-9-15-12-20-22(21-15)16-7-2-1-3-8-16/h1-8,11-12H,9-10H2,(H,19,23)
InChIKeyRJNXQICQPUJMBM-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152234
3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 146152245
2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152227
3-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146122234
3-[[(2-phenyltriazol-4-yl)methylamino]methyl]-N-propylbenzamide
CID 60614443
4-[(2-phenyltriazol-4-yl)methylcarbamoyl]benzoic acid
CID 167931495
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
3-fluoro-5-methyl-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 146126708
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-3-fluorobenzamide
CID 110671973
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 51105926

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide (CID 146152232) is 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide is O=C(NCCc1cnn(-c2ccccc2)n1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The InChIKey is RJNXQICQPUJMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-6-4-5-13(11-14)17(23)19-10-9-15-12-20-22(21-15)16-7-2-1-3-8-16/h1-8,11-12H,9-10H2,(H,19,23).
What are the key properties of 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide has a molecular weight of 310.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 146152232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).