N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 82734909

IUPACN-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
SMILESCNc1c(C(=O)N(C)C2CCOC2)cccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-18-12-10(4-3-5-11(12)14(15,16)17)13(20)19(2)9-6-7-21-8-9/h3-5,9,18H,6-8H2,1-2H3
InChIKeyYBNXWTATZCQNSA-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.61
Rot. Bonds3

About N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide

N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 82734909) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID82734909
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide
SMILESCNc1c(C(=O)N(C)C2CCOC2)cccc1C(F)(F)F
InChIInChI=1S/C14H17F3N2O2/c1-18-12-10(4-3-5-11(12)14(15,16)17)13(20)19(2)9-6-7-21-8-9/h3-5,9,18H,6-8H2,1-2H3
InChIKeyYBNXWTATZCQNSA-UHFFFAOYSA-N
XLogP2.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide (CID 82734909) is N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide is CNc1c(C(=O)N(C)C2CCOC2)cccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is YBNXWTATZCQNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-18-12-10(4-3-5-11(12)14(15,16)17)13(20)19(2)9-6-7-21-8-9/h3-5,9,18H,6-8H2,1-2H3.
What are the key properties of N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide?
N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 302.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(oxolan-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 82734909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).