3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C12H13F3N2O — CID 114158345

IUPAC3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1c(N)cccc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O/c1-7-8(3-2-4-9(7)16)10(18)17-11(5-6-11)12(13,14)15/h2-4H,5-6,16H2,1H3,(H,17,18)
InChIKeyVJTGBZBVCIXKCQ-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 114158345) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID114158345
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCc1c(N)cccc1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H13F3N2O/c1-7-8(3-2-4-9(7)16)10(18)17-11(5-6-11)12(13,14)15/h2-4H,5-6,16H2,1H3,(H,17,18)
InChIKeyVJTGBZBVCIXKCQ-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

5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
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
2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218163
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
CID 106218185
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylbenzamide
CID 61212549
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681
6-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-2-carboxamide
CID 106213890
2-(3-hydroxyprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106217814

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 114158345) is 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is Cc1c(N)cccc1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is VJTGBZBVCIXKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-7-8(3-2-4-9(7)16)10(18)17-11(5-6-11)12(13,14)15/h2-4H,5-6,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
3-amino-2-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-2-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 114158345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).