2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide

C18H19F2NO2 — CID 135069724

IUPAC2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide
SMILESCCCCCN(C(=O)c1c(F)cccc1F)c1ccccc1O
InChIInChI=1S/C18H19F2NO2/c1-2-3-6-12-21(15-10-4-5-11-16(15)22)18(23)17-13(19)8-7-9-14(17)20/h4-5,7-11,22H,2-3,6,12H2,1H3
InChIKeyGRYHTAZVTPUOIV-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.51
Rot. Bonds6

About 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide

2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide (PubChem CID 135069724) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide
PubChem CID135069724
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide
SMILESCCCCCN(C(=O)c1c(F)cccc1F)c1ccccc1O
InChIInChI=1S/C18H19F2NO2/c1-2-3-6-12-21(15-10-4-5-11-16(15)22)18(23)17-13(19)8-7-9-14(17)20/h4-5,7-11,22H,2-3,6,12H2,1H3
InChIKeyGRYHTAZVTPUOIV-UHFFFAOYSA-N
XLogP4.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide?
The IUPAC name of 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide (CID 135069724) is 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide?
The canonical SMILES for 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide is CCCCCN(C(=O)c1c(F)cccc1F)c1ccccc1O.
What is the InChIKey of 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide?
The InChIKey is GRYHTAZVTPUOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-2-3-6-12-21(15-10-4-5-11-16(15)22)18(23)17-13(19)8-7-9-14(17)20/h4-5,7-11,22H,2-3,6,12H2,1H3.
What are the key properties of 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide?
2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide has a molecular weight of 319.35 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-hydroxyphenyl)-N-pentylbenzamide is sourced from PubChem (CID 135069724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).