2-amino-5-fluoro-N-(1-phenylbutyl)benzamide

C17H19FN2O — CID 43708581

IUPAC2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1cc(F)ccc1N)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(18)9-10-15(14)19/h3-5,7-11,16H,2,6,19H2,1H3,(H,20,21)
InChIKeyYZZAXROAUUARMS-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.68
Rot. Bonds5

About 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide

2-amino-5-fluoro-N-(1-phenylbutyl)benzamide (PubChem CID 43708581) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
PubChem CID43708581
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-amino-5-fluoro-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1cc(F)ccc1N)c1ccccc1
InChIInChI=1S/C17H19FN2O/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(18)9-10-15(14)19/h3-5,7-11,16H,2,6,19H2,1H3,(H,20,21)
InChIKeyYZZAXROAUUARMS-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-fluoro-N-(1-phenylbutyl)benzamide
CID 60667425
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
2-fluoro-N-(1-phenylbutyl)pyridine-3-carboxamide
CID 107358466
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137
4-bromo-3-fluoro-N-(1-phenylbutyl)benzamide
CID 63524586
2-bromo-N-(1-phenylbutyl)-5-sulfamoylbenzamide
CID 42940472
3,5-dinitro-N-(1-phenylbutyl)benzamide
CID 71330970
1-phenylbutylurea
CID 2852079
6-bromo-N-(1-phenylbutyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 56728788
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244237
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide (CID 43708581) is 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide is CCCC(NC(=O)c1cc(F)ccc1N)c1ccccc1.
What is the InChIKey of 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide?
The InChIKey is YZZAXROAUUARMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-2-6-16(12-7-4-3-5-8-12)20-17(21)14-11-13(18)9-10-15(14)19/h3-5,7-11,16H,2,6,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide?
2-amino-5-fluoro-N-(1-phenylbutyl)benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(1-phenylbutyl)benzamide is sourced from PubChem (CID 43708581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).