N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide

C14H17F2NO2 — CID 52566422

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)C1CCOCC1
InChIInChI=1S/C14H17F2NO2/c1-17(14(18)11-4-6-19-7-5-11)9-10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9H2,1H3
InChIKeyQXNOSCRBMWUAEX-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.35
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide

N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide (PubChem CID 52566422) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide
PubChem CID52566422
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)C1CCOCC1
InChIInChI=1S/C14H17F2NO2/c1-17(14(18)11-4-6-19-7-5-11)9-10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9H2,1H3
InChIKeyQXNOSCRBMWUAEX-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide (CID 52566422) is N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide is CN(Cc1ccc(F)c(F)c1)C(=O)C1CCOCC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide?
The InChIKey is QXNOSCRBMWUAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-17(14(18)11-4-6-19-7-5-11)9-10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide?
N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide has a molecular weight of 269.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methyloxane-4-carboxamide is sourced from PubChem (CID 52566422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).