3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide

C12H13F3N2O — CID 146047094

IUPAC3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
SMILESNc1cc(C(=O)NC2CCC2)ccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-5-4-7(6-10(9)16)11(18)17-8-2-1-3-8/h4-6,8H,1-3,16H2,(H,17,18)
InChIKeyWIQYJPYQYGQTLN-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.57
Rot. Bonds2

About 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide

3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide (PubChem CID 146047094) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
PubChem CID146047094
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide
SMILESNc1cc(C(=O)NC2CCC2)ccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)9-5-4-7(6-10(9)16)11(18)17-8-2-1-3-8/h4-6,8H,1-3,16H2,(H,17,18)
InChIKeyWIQYJPYQYGQTLN-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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

N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 171933201
4-amino-N-(4-methylcyclohexyl)-3-(trifluoromethyl)benzamide
CID 62153973
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
N-cyclopentyl-3-piperidin-4-yl-4-(trifluoromethyl)benzamide;hydrochloride
CID 171361785
4-amino-N-(3-methylcyclopentyl)-3-(trifluoromethyl)benzamide
CID 114540505
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
3-amino-4-(trifluoromethyl)benzamide
CID 70566293
4-bromo-N-(4-bromocyclohexyl)-3-(trifluoromethyl)benzamide
CID 114309058

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide (CID 146047094) is 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide is Nc1cc(C(=O)NC2CCC2)ccc1C(F)(F)F.
What is the InChIKey of 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide?
The InChIKey is WIQYJPYQYGQTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)9-5-4-7(6-10(9)16)11(18)17-8-2-1-3-8/h4-6,8H,1-3,16H2,(H,17,18).
What are the key properties of 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide?
3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide has a molecular weight of 258.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclobutyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 146047094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).