N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide

C16H14F3NO2 — CID 2713294

IUPACN-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-22-14-8-3-2-5-12(14)10-20-15(21)11-6-4-7-13(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyJUPRGMVLUSGMGJ-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.64
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide

N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 2713294) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID2713294
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2/c1-22-14-8-3-2-5-12(14)10-20-15(21)11-6-4-7-13(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyJUPRGMVLUSGMGJ-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393
N-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272108
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 8013869
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
3-(ethylsulfonylamino)-N-[(2-methoxyphenyl)methyl]benzamide
CID 25348432

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide (CID 2713294) is N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide is COc1ccccc1CNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is JUPRGMVLUSGMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-22-14-8-3-2-5-12(14)10-20-15(21)11-6-4-7-13(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide?
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 309.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2713294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).