N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide

C17H18FNO2 — CID 103889306

IUPACN-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1O)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-2-3-11-19(14-7-5-4-6-8-14)17(21)15-10-9-13(18)12-16(15)20/h4-10,12,20H,2-3,11H2,1H3
InChIKeyXKJQEJCWVGWQAP-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.98
Rot. Bonds5

About N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide

N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide (PubChem CID 103889306) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
PubChem CID103889306
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(F)cc1O)c1ccccc1
InChIInChI=1S/C17H18FNO2/c1-2-3-11-19(14-7-5-4-6-8-14)17(21)15-10-9-13(18)12-16(15)20/h4-10,12,20H,2-3,11H2,1H3
InChIKeyXKJQEJCWVGWQAP-UHFFFAOYSA-N
XLogP3.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
CID 103865726
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
CID 115497112
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
2,6-difluoro-N-pentyl-N-phenylbenzamide
CID 135075330
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide?
The IUPAC name of N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide (CID 103889306) is N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide.
What is the SMILES notation for N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide?
The canonical SMILES for N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide is CCCCN(C(=O)c1ccc(F)cc1O)c1ccccc1.
What is the InChIKey of N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide?
The InChIKey is XKJQEJCWVGWQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-2-3-11-19(14-7-5-4-6-8-14)17(21)15-10-9-13(18)12-16(15)20/h4-10,12,20H,2-3,11H2,1H3.
What are the key properties of N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide?
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide is sourced from PubChem (CID 103889306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).