3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide

C20H23F3N2O2 — CID 70810503

IUPAC3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide
SMILESCc1cc(C(=O)NCCC(C)C)ccc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c1-13(2)10-11-24-19(26)15-8-9-16(14(3)12-15)25-17-6-4-5-7-18(17)27-20(21,22)23/h4-9,12-13,25H,10-11H2,1-3H3,(H,24,26)
InChIKeyRNBUIKDGOBLRDI-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.41
Rot. Bonds7

About 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide

3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide (PubChem CID 70810503) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide
PubChem CID70810503
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide
SMILESCc1cc(C(=O)NCCC(C)C)ccc1Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c1-13(2)10-11-24-19(26)15-8-9-16(14(3)12-15)25-17-6-4-5-7-18(17)27-20(21,22)23/h4-9,12-13,25H,10-11H2,1-3H3,(H,24,26)
InChIKeyRNBUIKDGOBLRDI-UHFFFAOYSA-N
XLogP5.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide
CID 58173078
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide
CID 70810463
4-[2-(2-fluorophenoxy)ethylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 60606761
4-[2-(trifluoromethoxy)anilino]benzoic acid
CID 62232189
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
3-methyl-N-[2-(trifluoromethoxy)phenyl]butane-1-sulfonamide
CID 56532305
4-(ethylamino)-3-methyl-N-(5-methylhexyl)benzamide
CID 115327258
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
4-methyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 47064084

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide?
The IUPAC name of 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide (CID 70810503) is 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide is Cc1cc(C(=O)NCCC(C)C)ccc1Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide?
The InChIKey is RNBUIKDGOBLRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-13(2)10-11-24-19(26)15-8-9-16(14(3)12-15)25-17-6-4-5-7-18(17)27-20(21,22)23/h4-9,12-13,25H,10-11H2,1-3H3,(H,24,26).
What are the key properties of 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide?
3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide has a molecular weight of 380.41 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)-4-[2-(trifluoromethoxy)anilino]benzamide is sourced from PubChem (CID 70810503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).