N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C17H16F4N2O2 — CID 3332221

IUPACN-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)n1
InChIInChI=1S/C17H16F4N2O2/c1-11-3-2-4-14(22-11)23-15(24)13-7-5-12(6-8-13)9-25-10-17(20,21)16(18)19/h2-8,16H,9-10H2,1H3,(H,22,23,24)
InChIKeyIGYLBUVORJTWIM-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.06
Rot. Bonds7

About N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 3332221) has the molecular formula C17H16F4N2O2 and a molecular weight of 356.32 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID3332221
Molecular FormulaC17H16F4N2O2
Molecular Weight356.32 g/mol
Exact Mass356.11
IUPAC NameN-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)n1
InChIInChI=1S/C17H16F4N2O2/c1-11-3-2-4-14(22-11)23-15(24)13-7-5-12(6-8-13)9-25-10-17(20,21)16(18)19/h2-8,16H,9-10H2,1H3,(H,22,23,24)
InChIKeyIGYLBUVORJTWIM-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 3332221) is N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is Cc1cccc(NC(=O)c2ccc(COCC(F)(F)C(F)F)cc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is IGYLBUVORJTWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O2/c1-11-3-2-4-14(22-11)23-15(24)13-7-5-12(6-8-13)9-25-10-17(20,21)16(18)19/h2-8,16H,9-10H2,1H3,(H,22,23,24).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 356.32 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 3332221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).