2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide

C13H16F3NO2 — CID 167264759

IUPAC2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)NCC(C)C
InChIInChI=1S/C13H16F3NO2/c1-8(2)7-17-12(18)10-6-9(13(14,15)16)4-5-11(10)19-3/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyXJVBMRCVMCOQJF-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.10
Rot. Bonds4

About 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide

2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide (PubChem CID 167264759) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
PubChem CID167264759
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)NCC(C)C
InChIInChI=1S/C13H16F3NO2/c1-8(2)7-17-12(18)10-6-9(13(14,15)16)4-5-11(10)19-3/h4-6,8H,7H2,1-3H3,(H,17,18)
InChIKeyXJVBMRCVMCOQJF-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 84706087
2-methyl-3-[[2-prop-2-enoxy-5-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 119236787
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117
2-methoxy-N-(2-methylpropyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 166624944
2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907
2,4-dimethoxy-3-methyl-N-(2-methylpropyl)benzamide
CID 110763321
4-[2-methoxy-5-(trifluoromethyl)phenyl]-4-oxobutanoic acid
CID 82262810
3-chloro-1-[2-methoxy-5-(trifluoromethyl)phenyl]propan-1-one
CID 82262815
methyl 2-bromo-3-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]propanoate
CID 103492494
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
N-(2-acetamidoethyl)-5-tert-butyl-2-methoxybenzamide
CID 110761334

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide (CID 167264759) is 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide is COc1ccc(C(F)(F)F)cc1C(=O)NCC(C)C.
What is the InChIKey of 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is XJVBMRCVMCOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(2)7-17-12(18)10-6-9(13(14,15)16)4-5-11(10)19-3/h4-6,8H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide?
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 167264759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).