2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide

C12H15F3N2O2 — CID 90785305

IUPAC2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide
SMILESCCNC(OC)c1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H15F3N2O2/c1-3-17-11(19-2)9-6-7(12(13,14)15)4-5-8(9)10(16)18/h4-6,11,17H,3H2,1-2H3,(H2,16,18)
InChIKeyMYUKUQCEUCTZTM-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.06
Rot. Bonds5

About 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide

2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 90785305) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide
PubChem CID90785305
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide
SMILESCCNC(OC)c1cc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C12H15F3N2O2/c1-3-17-11(19-2)9-6-7(12(13,14)15)4-5-8(9)10(16)18/h4-6,11,17H,3H2,1-2H3,(H2,16,18)
InChIKeyMYUKUQCEUCTZTM-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy(methoxy)methyl]-4-(trifluoromethyl)benzamide
CID 91391069
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
ethyl 2-(dibromomethyl)-4-(trifluoromethyl)benzoate
CID 69434080
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
ethyl 2-(1-chloro-2-oxopropyl)-4-(trifluoromethyl)benzoate
CID 134644953
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
2-[(R)-propylsulfinyl]-4-(trifluoromethyl)benzamide
CID 177255254
2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-5-(trifluoromethyl)benzamide
CID 140559986
methyl (3R)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propanoate
CID 171249314
ethyl (3R)-3-amino-3-[2,5-bis(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171208871
methyl (3S)-3-amino-3-[2-hydroxy-5-(trifluoromethyl)phenyl]propanoate
CID 171254727

Frequently Asked Questions

What is the IUPAC name of 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide (CID 90785305) is 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide is CCNC(OC)c1cc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is MYUKUQCEUCTZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-17-11(19-2)9-6-7(12(13,14)15)4-5-8(9)10(16)18/h4-6,11,17H,3H2,1-2H3,(H2,16,18).
What are the key properties of 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide?
2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylamino(methoxy)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90785305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).