N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide

C15H17F4NO4 — CID 156609682

IUPACN-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCOC1CCOCC1NC(=O)c1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C15H17F4NO4/c1-22-12-6-7-23-8-10(12)20-13(21)9-4-2-3-5-11(9)24-15(18,19)14(16)17/h2-5,10,12,14H,6-8H2,1H3,(H,20,21)
InChIKeySYZQFHJAEVXHQK-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.46
Rot. Bonds6

About N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide

N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 156609682) has the molecular formula C15H17F4NO4 and a molecular weight of 351.30 g/mol. Its IUPAC name is N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID156609682
Molecular FormulaC15H17F4NO4
Molecular Weight351.30 g/mol
Exact Mass351.11
IUPAC NameN-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESCOC1CCOCC1NC(=O)c1ccccc1OC(F)(F)C(F)F
InChIInChI=1S/C15H17F4NO4/c1-22-12-6-7-23-8-10(12)20-13(21)9-4-2-3-5-11(9)24-15(18,19)14(16)17/h2-5,10,12,14H,6-8H2,1H3,(H,20,21)
InChIKeySYZQFHJAEVXHQK-UHFFFAOYSA-N
XLogP2.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 156609682) is N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide is COC1CCOCC1NC(=O)c1ccccc1OC(F)(F)C(F)F.
What is the InChIKey of N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is SYZQFHJAEVXHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO4/c1-22-12-6-7-23-8-10(12)20-13(21)9-4-2-3-5-11(9)24-15(18,19)14(16)17/h2-5,10,12,14H,6-8H2,1H3,(H,20,21).
What are the key properties of N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 351.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 156609682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).