N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid

C11H12F3NO5 — CID 161381447

IUPACN,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCON(OC)C(=O)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11NO3.C2HF3O2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h3-7H,1-2H3;(H,6,7)
InChIKeyVRTUFCDQKOWZOE-UHFFFAOYSA-N
MW295.21 g/mol
LogP1.88
Rot. Bonds3

About N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid

N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid (PubChem CID 161381447) has the molecular formula C11H12F3NO5 and a molecular weight of 295.21 g/mol. Its IUPAC name is N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid
PubChem CID161381447
Molecular FormulaC11H12F3NO5
Molecular Weight295.21 g/mol
Exact Mass295.07
IUPAC NameN,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCON(OC)C(=O)c1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H11NO3.C2HF3O2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h3-7H,1-2H3;(H,6,7)
InChIKeyVRTUFCDQKOWZOE-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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[methoxy(sulfino)carbamoyl]benzene
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(2S)-2-[benzoyl(methoxy)amino]propanoic acid
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N,N-dimethoxy-3-sulfamoylbenzamide
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[(E)-1,3,3,3-tetrafluoro-1-phenylprop-1-en-2-yl] acetate
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methyl N-amino-N-benzoylcarbamate
CID 69339963

Frequently Asked Questions

What is the IUPAC name of N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid (CID 161381447) is N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid is CON(OC)C(=O)c1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is VRTUFCDQKOWZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C2HF3O2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8;3-2(4,5)1(6)7/h3-7H,1-2H3;(H,6,7).
What are the key properties of N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid?
N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 295.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethoxybenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161381447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).