N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

C16H19F4NO3 — CID 2941650

IUPACN-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C16H19F4NO3/c17-15(18)16(19,20)10-23-9-11-3-5-12(6-4-11)14(22)21-8-13-2-1-7-24-13/h3-6,13,15H,1-2,7-10H2,(H,21,22)
InChIKeyNWELHOQLZPPZGR-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.01
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide

N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (PubChem CID 2941650) has the molecular formula C16H19F4NO3 and a molecular weight of 349.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
PubChem CID2941650
Molecular FormulaC16H19F4NO3
Molecular Weight349.32 g/mol
Exact Mass349.13
IUPAC NameN-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C16H19F4NO3/c17-15(18)16(19,20)10-23-9-11-3-5-12(6-4-11)14(22)21-8-13-2-1-7-24-13/h3-6,13,15H,1-2,7-10H2,(H,21,22)
InChIKeyNWELHOQLZPPZGR-UHFFFAOYSA-N
XLogP3.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.01
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-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide (CID 2941650) is N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is O=C(NCC1CCCO1)c1ccc(COCC(F)(F)C(F)F)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
The InChIKey is NWELHOQLZPPZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4NO3/c17-15(18)16(19,20)10-23-9-11-3-5-12(6-4-11)14(22)21-8-13-2-1-7-24-13/h3-6,13,15H,1-2,7-10H2,(H,21,22).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide?
N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide has a molecular weight of 349.32 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(2,2,3,3-tetrafluoropropoxymethyl)benzamide is sourced from PubChem (CID 2941650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).