4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide

C11H10F6N2O — CID 62161986

IUPAC4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F6N2O/c1-19(5-10(12,13)14)9(20)6-2-3-8(18)7(4-6)11(15,16)17/h2-4H,5,18H2,1H3
InChIKeyAXOROBRVEVTHCR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.92
Rot. Bonds2

About 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide (PubChem CID 62161986) has the molecular formula C11H10F6N2O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
PubChem CID62161986
Molecular FormulaC11H10F6N2O
Molecular Weight300.20 g/mol
Exact Mass300.07
IUPAC Name4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
SMILESCN(CC(F)(F)F)C(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C11H10F6N2O/c1-19(5-10(12,13)14)9(20)6-2-3-8(18)7(4-6)11(15,16)17/h2-4H,5,18H2,1H3
InChIKeyAXOROBRVEVTHCR-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 63862980
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
CID 62154997
4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
CID 62160495
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411
4-amino-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62153422
3-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60891416
4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide
CID 63361146
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
CID 64521049
4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 69057682

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide (CID 62161986) is 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide is CN(CC(F)(F)F)C(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is AXOROBRVEVTHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O/c1-19(5-10(12,13)14)9(20)6-2-3-8(18)7(4-6)11(15,16)17/h2-4H,5,18H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide?
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 300.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62161986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).