3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C12H13F3N2O — CID 114158343

IUPAC3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C12H13F3N2O/c1-7-2-3-8(6-9(7)16)10(18)17-11(4-5-11)12(13,14)15/h2-3,6H,4-5,16H2,1H3,(H,17,18)
InChIKeyMZGUTHYQBIWVLF-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 114158343) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID114158343
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C12H13F3N2O/c1-7-2-3-8(6-9(7)16)10(18)17-11(4-5-11)12(13,14)15/h2-3,6H,4-5,16H2,1H3,(H,17,18)
InChIKeyMZGUTHYQBIWVLF-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.40
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-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159047
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218202
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158345
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 114158343) is 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is Cc1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is MZGUTHYQBIWVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-7-2-3-8(6-9(7)16)10(18)17-11(4-5-11)12(13,14)15/h2-3,6H,4-5,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 258.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 114158343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).