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

C13H15F3N2O — CID 106208292

IUPAC5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1cc(C)c(C(=O)NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C13H15F3N2O/c1-7-5-8(2)10(17)6-9(7)11(19)18-12(3-4-12)13(14,15)16/h5-6H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyCULBUFMPFIQPKI-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.71
Rot. Bonds2

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

5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106208292) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106208292
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1cc(C)c(C(=O)NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C13H15F3N2O/c1-7-5-8(2)10(17)6-9(7)11(19)18-12(3-4-12)13(14,15)16/h5-6H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyCULBUFMPFIQPKI-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345
2-amino-4,5-dimethoxy-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208223
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159047
3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218202
5-chloro-2-hydrazinyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218313
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 102705922
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
CID 106211269
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106547554

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106208292) is 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is Cc1cc(C)c(C(=O)NC2(C(F)(F)F)CC2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is CULBUFMPFIQPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-7-5-8(2)10(17)6-9(7)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 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 272.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106208292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).