N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide

C15H21F3N2O — CID 62168801

IUPACN-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(NC)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-5-10(2)9-20(4)14(21)11-6-7-13(19-3)12(8-11)15(16,17)18/h6-8,10,19H,5,9H2,1-4H3
InChIKeyULDLNWUXUIXREJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.87
Rot. Bonds5

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

N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide (PubChem CID 62168801) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
PubChem CID62168801
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1ccc(NC)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-5-10(2)9-20(4)14(21)11-6-7-13(19-3)12(8-11)15(16,17)18/h6-8,10,19H,5,9H2,1-4H3
InChIKeyULDLNWUXUIXREJ-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(methylamino)-N-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 63961442
N-ethyl-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62241169
4-bromo-N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 81449756
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
3-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43437024
N-(2-hydroxypropyl)-N,3-dimethyl-4-(methylamino)benzamide
CID 55162088
N,3-dimethyl-4-(methylamino)-N-(2-methylpropyl)benzamide
CID 63210523
N-butan-2-yl-N-ethyl-4-hydrazinyl-3-(trifluoromethyl)benzamide
CID 62241359
N-methyl-N-(2-methylbutyl)-4-(propylamino)benzamide
CID 62170173
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-N-methyl-3-(trifluoromethyl)benzamide
CID 63726381
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
CID 104765588
3-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295327

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide (CID 62168801) is N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide is CCC(C)CN(C)C(=O)c1ccc(NC)c(C(F)(F)F)c1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide?
The InChIKey is ULDLNWUXUIXREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-5-10(2)9-20(4)14(21)11-6-7-13(19-3)12(8-11)15(16,17)18/h6-8,10,19H,5,9H2,1-4H3.
What are the key properties of N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide?
N-methyl-4-(methylamino)-N-(2-methylbutyl)-3-(trifluoromethyl)benzamide has a molecular weight of 302.34 g/mol, XLogP of 3.87, 5 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-methylbutyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62168801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).