2-methoxy-4-(trifluoromethyl)benzamide

C9H8F3NO2 — CID 3788214

IUPAC2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C9H8F3NO2/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H2,13,14)
InChIKeyIRRWUEIEUKDLDB-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.81
Rot. Bonds2

About 2-methoxy-4-(trifluoromethyl)benzamide

2-methoxy-4-(trifluoromethyl)benzamide (PubChem CID 3788214) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2-methoxy-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-(trifluoromethyl)benzamide
PubChem CID3788214
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2-methoxy-4-(trifluoromethyl)benzamide
SMILESCOc1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C9H8F3NO2/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H2,13,14)
InChIKeyIRRWUEIEUKDLDB-UHFFFAOYSA-N
XLogP1.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
3-bromo-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134625236
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
CID 91391069
N'-[(Z)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]prop-1-en-2-yl]carbamimidoyl chloride
CID 170260176
2-methoxy-4-(trifluoromethyl)benzenecarboximidate
CID 154458446
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide
CID 66681124
4-chloro-2-methoxybenzamide
CID 19741766
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methoxy-4-(trifluoromethyl)benzamide (CID 3788214) is 2-methoxy-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methoxy-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methoxy-4-(trifluoromethyl)benzamide is COc1cc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-methoxy-4-(trifluoromethyl)benzamide?
The InChIKey is IRRWUEIEUKDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H2,13,14).
What are the key properties of 2-methoxy-4-(trifluoromethyl)benzamide?
2-methoxy-4-(trifluoromethyl)benzamide has a molecular weight of 219.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 3788214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).