5-amino-N-butyl-2-fluoro-N-phenylbenzamide

C17H19FN2O — CID 62056959

IUPAC5-amino-N-butyl-2-fluoro-N-phenylbenzamide
SMILESCCCCN(C(=O)c1cc(N)ccc1F)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-2-3-11-20(14-7-5-4-6-8-14)17(21)15-12-13(19)9-10-16(15)18/h4-10,12H,2-3,11,19H2,1H3
InChIKeyBOIYKWUXTBYQJF-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.85
Rot. Bonds5

About 5-amino-N-butyl-2-fluoro-N-phenylbenzamide

5-amino-N-butyl-2-fluoro-N-phenylbenzamide (PubChem CID 62056959) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 5-amino-N-butyl-2-fluoro-N-phenylbenzamide.

Molecular Properties

Compound Name5-amino-N-butyl-2-fluoro-N-phenylbenzamide
PubChem CID62056959
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name5-amino-N-butyl-2-fluoro-N-phenylbenzamide
SMILESCCCCN(C(=O)c1cc(N)ccc1F)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-2-3-11-20(14-7-5-4-6-8-14)17(21)15-12-13(19)9-10-16(15)18/h4-10,12H,2-3,11,19H2,1H3
InChIKeyBOIYKWUXTBYQJF-UHFFFAOYSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
N-(3-aminophenyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 63229607
4-amino-N-butyl-N-phenylpyridine-2-carboxamide
CID 64586979
5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 64585805
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride
CID 120645559
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726
4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
CID 64586919

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-2-fluoro-N-phenylbenzamide?
The IUPAC name of 5-amino-N-butyl-2-fluoro-N-phenylbenzamide (CID 62056959) is 5-amino-N-butyl-2-fluoro-N-phenylbenzamide.
What is the SMILES notation for 5-amino-N-butyl-2-fluoro-N-phenylbenzamide?
The canonical SMILES for 5-amino-N-butyl-2-fluoro-N-phenylbenzamide is CCCCN(C(=O)c1cc(N)ccc1F)c1ccccc1.
What is the InChIKey of 5-amino-N-butyl-2-fluoro-N-phenylbenzamide?
The InChIKey is BOIYKWUXTBYQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-3-11-20(14-7-5-4-6-8-14)17(21)15-12-13(19)9-10-16(15)18/h4-10,12H,2-3,11,19H2,1H3.
What are the key properties of 5-amino-N-butyl-2-fluoro-N-phenylbenzamide?
5-amino-N-butyl-2-fluoro-N-phenylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-2-fluoro-N-phenylbenzamide is sourced from PubChem (CID 62056959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).