N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide

C15H21F3N2O — CID 63961442

IUPACN-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(NC)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-6-14(2,3)20(5)13(21)10-7-8-12(19-4)11(9-10)15(16,17)18/h7-9,19H,6H2,1-5H3
InChIKeyHQYZPZRLDMPGSI-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.01
Rot. Bonds4

About N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide

N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 63961442) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID63961442
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
SMILESCCC(C)(C)N(C)C(=O)c1ccc(NC)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-6-14(2,3)20(5)13(21)10-7-8-12(19-4)11(9-10)15(16,17)18/h7-9,19H,6H2,1-5H3
InChIKeyHQYZPZRLDMPGSI-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
CID 62168801
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
N,3-dimethyl-N-(2-methylbutan-2-yl)-4-(propylamino)benzamide
CID 63963788
N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62241169
N-cyclopropyl-4-(ethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 62167915
4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63958933
4-(methylamino)-N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)benzamide
CID 63964007
N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
CID 55042364
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
CID 104765588
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 62165965
N-cyclopropyl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62242272

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide (CID 63961442) is N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide is CCC(C)(C)N(C)C(=O)c1ccc(NC)c(C(F)(F)F)c1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is HQYZPZRLDMPGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-6-14(2,3)20(5)13(21)10-7-8-12(19-4)11(9-10)15(16,17)18/h7-9,19H,6H2,1-5H3.
What are the key properties of N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide?
N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 302.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63961442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).