5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide

C17H15FN2O — CID 65310924

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(C#CCN)cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H15FN2O/c1-12-8-9-13(5-4-10-19)11-14(12)17(21)20-16-7-3-2-6-15(16)18/h2-3,6-9,11H,10,19H2,1H3,(H,20,21)
InChIKeyBFZHDJDMHOQJHS-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.70
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide

5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide (PubChem CID 65310924) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide
PubChem CID65310924
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(C#CCN)cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C17H15FN2O/c1-12-8-9-13(5-4-10-19)11-14(12)17(21)20-16-7-3-2-6-15(16)18/h2-3,6-9,11H,10,19H2,1H3,(H,20,21)
InChIKeyBFZHDJDMHOQJHS-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-hydroxybenzamide
CID 60804128
5-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)-2-methylbenzamide
CID 65310829
5-(3-aminoprop-1-ynyl)-2-methyl-N-propylbenzamide
CID 65310729
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
CID 60815663
5-(3-aminoprop-1-ynyl)-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 65311305
N-[4-(3-aminoprop-1-ynyl)phenyl]-5-chloro-2-methylbenzamide
CID 82874678
5-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)-2-methylbenzamide
CID 65310396
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]urea
CID 60814279
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 65309930
N-[4-(3-aminoprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60803408
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
2-(3-aminoprop-1-ynyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 60821946

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide (CID 65310924) is 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide is Cc1ccc(C#CCN)cc1C(=O)Nc1ccccc1F.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide?
The InChIKey is BFZHDJDMHOQJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12-8-9-13(5-4-10-19)11-14(12)17(21)20-16-7-3-2-6-15(16)18/h2-3,6-9,11H,10,19H2,1H3,(H,20,21).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide?
5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide has a molecular weight of 282.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 65310924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).