4-methoxybenzamide;2,2,2-trifluoroacetic acid

C10H10F3NO4 — CID 23509913

IUPAC4-methoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(C(N)=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9NO2.C2HF3O2/c1-11-7-4-2-6(3-5-7)8(9)10;3-2(4,5)1(6)7/h2-5H,1H3,(H2,9,10);(H,6,7)
InChIKeyCJLBQWSJFDLMBO-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.43
Rot. Bonds2

About 4-methoxybenzamide;2,2,2-trifluoroacetic acid

4-methoxybenzamide;2,2,2-trifluoroacetic acid (PubChem CID 23509913) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 4-methoxybenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methoxybenzamide;2,2,2-trifluoroacetic acid
PubChem CID23509913
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name4-methoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(C(N)=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H9NO2.C2HF3O2/c1-11-7-4-2-6(3-5-7)8(9)10;3-2(4,5)1(6)7/h2-5H,1H3,(H2,9,10);(H,6,7)
InChIKeyCJLBQWSJFDLMBO-UHFFFAOYSA-N
XLogP1.43
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methoxybenzamide;2,2,2-trifluoroacetic acid 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

anisole;2,2,2-trifluoroacetic acid
CID 66633105
4-(2-hydroxypropan-2-yl)benzamide;2,2,2-trifluoroacetic acid
CID 175731123
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
(2S,3S)-2,3-dihydroxy-2,3-bis(4-methoxybenzoyl)butanedioic acid
CID 66875563
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methoxybenzamide;2,2,2-trifluoroacetic acid (CID 23509913) is 4-methoxybenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methoxybenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methoxybenzamide;2,2,2-trifluoroacetic acid is COc1ccc(C(N)=O)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methoxybenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is CJLBQWSJFDLMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C2HF3O2/c1-11-7-4-2-6(3-5-7)8(9)10;3-2(4,5)1(6)7/h2-5H,1H3,(H2,9,10);(H,6,7).
What are the key properties of 4-methoxybenzamide;2,2,2-trifluoroacetic acid?
4-methoxybenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 265.19 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 23509913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).