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

C18H17FN4O — CID 146152227

IUPAC2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2cnn(-c3ccccc3)n2)c1F
InChIInChI=1S/C18H17FN4O/c1-13-6-5-9-16(17(13)19)18(24)20-11-10-14-12-21-23(22-14)15-7-3-2-4-8-15/h2-9,12H,10-11H2,1H3,(H,20,24)
InChIKeyHRNRUVYTJGVDLZ-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.69
Rot. Bonds5

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

2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide (PubChem CID 146152227) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
PubChem CID146152227
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCc2cnn(-c3ccccc3)n2)c1F
InChIInChI=1S/C18H17FN4O/c1-13-6-5-9-16(17(13)19)18(24)20-11-10-14-12-21-23(22-14)15-7-3-2-4-8-15/h2-9,12H,10-11H2,1H3,(H,20,24)
InChIKeyHRNRUVYTJGVDLZ-UHFFFAOYSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152232
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
N-[2-(2-phenyltriazol-4-yl)ethyl]but-2-ynamide
CID 146097973
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
2-fluoro-N-[2-(1-phenylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 146128761
2-chloro-N-[(2-phenyltriazol-4-yl)methyl]acetamide
CID 39871069
2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
CID 86782432
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
4-[(2-phenyltriazol-4-yl)methylcarbamoyl]benzoic acid
CID 167931495

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide (CID 146152227) is 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide is Cc1cccc(C(=O)NCCc2cnn(-c3ccccc3)n2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
The InChIKey is HRNRUVYTJGVDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-13-6-5-9-16(17(13)19)18(24)20-11-10-14-12-21-23(22-14)15-7-3-2-4-8-15/h2-9,12H,10-11H2,1H3,(H,20,24).
What are the key properties of 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide?
2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide has a molecular weight of 324.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 146152227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).