N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide

C12H11F6NO3 — CID 3523397

IUPACN-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C12H11F6NO3/c1-19-10(20)8-4-7(21-5-11(13,14)15)2-3-9(8)22-6-12(16,17)18/h2-4H,5-6H2,1H3,(H,19,20)
InChIKeyIHPDHPCPHLQXSA-UHFFFAOYSA-N
MW331.21 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide

N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide (PubChem CID 3523397) has the molecular formula C12H11F6NO3 and a molecular weight of 331.21 g/mol. Its IUPAC name is N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
PubChem CID3523397
Molecular FormulaC12H11F6NO3
Molecular Weight331.21 g/mol
Exact Mass331.06
IUPAC NameN-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESCNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C12H11F6NO3/c1-19-10(20)8-4-7(21-5-11(13,14)15)2-3-9(8)22-6-12(16,17)18/h2-4H,5-6H2,1H3,(H,19,20)
InChIKeyIHPDHPCPHLQXSA-UHFFFAOYSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CID 3523397) is N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide is CNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is IHPDHPCPHLQXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO3/c1-19-10(20)8-4-7(21-5-11(13,14)15)2-3-9(8)22-6-12(16,17)18/h2-4H,5-6H2,1H3,(H,19,20).
What are the key properties of N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 331.21 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,5-bis(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 3523397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).