N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide

C16H15F3N2O2 — CID 124614857

IUPACN-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide
SMILESC[C@H](c1cccnc1)N(C)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-11(12-6-5-9-20-10-12)21(2)15(22)13-7-3-4-8-14(13)23-16(17,18)19/h3-11H,1-2H3/t11-/m1/s1
InChIKeyWSDWIJLDEINSSW-LLVKDONJSA-N
MW324.30 g/mol
LogP3.81
Rot. Bonds4

About N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide

N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide (PubChem CID 124614857) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide
PubChem CID124614857
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide
SMILESC[C@H](c1cccnc1)N(C)C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-11(12-6-5-9-20-10-12)21(2)15(22)13-7-3-4-8-14(13)23-16(17,18)19/h3-11H,1-2H3/t11-/m1/s1
InChIKeyWSDWIJLDEINSSW-LLVKDONJSA-N
XLogP3.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
(Z)-3-(2-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]but-2-enamide
CID 99894138
N-methyl-N-(1-pyridin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 60597744
5-amino-N-methyl-1-propan-2-yl-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 154847565
(E)-3-[2-(difluoromethoxy)phenyl]-N-methyl-N-(1-pyridin-3-ylethyl)prop-2-enamide
CID 60597595
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
N-methyl-5-phenoxy-N-[(1S)-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 95216320
4-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 95191352
4-(3-hydroxy-3-methylbut-1-ynyl)-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 56702604
N-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]-2-(trifluoromethoxy)benzamide
CID 67812706
3-pyridin-3-yl-1-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 105094623

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide (CID 124614857) is N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide is C[C@H](c1cccnc1)N(C)C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is WSDWIJLDEINSSW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-11(12-6-5-9-20-10-12)21(2)15(22)13-7-3-4-8-14(13)23-16(17,18)19/h3-11H,1-2H3/t11-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide?
N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 324.30 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 124614857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).