2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C13H15F3N2O3 — CID 106208223

IUPAC2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCOc1cc(N)c(C(=O)NC2(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C13H15F3N2O3/c1-20-9-5-7(8(17)6-10(9)21-2)11(19)18-12(3-4-12)13(14,15)16/h5-6H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyLASCABYDWSWSII-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.11
Rot. Bonds4

About 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide

2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106208223) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106208223
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCOc1cc(N)c(C(=O)NC2(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C13H15F3N2O3/c1-20-9-5-7(8(17)6-10(9)21-2)11(19)18-12(3-4-12)13(14,15)16/h5-6H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyLASCABYDWSWSII-UHFFFAOYSA-N
XLogP2.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
2-amino-N-[(1-hydroxycyclopentyl)methyl]-4,5-dimethoxybenzamide
CID 65103770
5-chloro-2-hydrazinyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218313
2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
CID 65104180
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
CID 106211269
methyl 2-amino-4-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]amino]benzoate
CID 106219367

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106208223) is 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide is COc1cc(N)c(C(=O)NC2(C(F)(F)F)CC2)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is LASCABYDWSWSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-20-9-5-7(8(17)6-10(9)21-2)11(19)18-12(3-4-12)13(14,15)16/h5-6H,3-4,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 304.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106208223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).