2,6-difluoro-N-pentyl-N-phenylbenzamide

C18H19F2NO — CID 135075330

IUPAC2,6-difluoro-N-pentyl-N-phenylbenzamide
SMILESCCCCCN(C(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C18H19F2NO/c1-2-3-7-13-21(14-9-5-4-6-10-14)18(22)17-15(19)11-8-12-16(17)20/h4-6,8-12H,2-3,7,13H2,1H3
InChIKeySNEYDQFWQQAROK-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.80
Rot. Bonds6

About 2,6-difluoro-N-pentyl-N-phenylbenzamide

2,6-difluoro-N-pentyl-N-phenylbenzamide (PubChem CID 135075330) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 2,6-difluoro-N-pentyl-N-phenylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-pentyl-N-phenylbenzamide
PubChem CID135075330
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name2,6-difluoro-N-pentyl-N-phenylbenzamide
SMILESCCCCCN(C(=O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C18H19F2NO/c1-2-3-7-13-21(14-9-5-4-6-10-14)18(22)17-15(19)11-8-12-16(17)20/h4-6,8-12H,2-3,7,13H2,1H3
InChIKeySNEYDQFWQQAROK-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-pentyl-N-phenylbenzamide?
The IUPAC name of 2,6-difluoro-N-pentyl-N-phenylbenzamide (CID 135075330) is 2,6-difluoro-N-pentyl-N-phenylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-pentyl-N-phenylbenzamide?
The canonical SMILES for 2,6-difluoro-N-pentyl-N-phenylbenzamide is CCCCCN(C(=O)c1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 2,6-difluoro-N-pentyl-N-phenylbenzamide?
The InChIKey is SNEYDQFWQQAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-2-3-7-13-21(14-9-5-4-6-10-14)18(22)17-15(19)11-8-12-16(17)20/h4-6,8-12H,2-3,7,13H2,1H3.
What are the key properties of 2,6-difluoro-N-pentyl-N-phenylbenzamide?
2,6-difluoro-N-pentyl-N-phenylbenzamide has a molecular weight of 303.35 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-pentyl-N-phenylbenzamide is sourced from PubChem (CID 135075330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).