N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide

C20H21F3N2O3 — CID 55550380

IUPACN-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O3/c1-3-13(2)17(25-18(26)14-8-5-4-6-9-14)19(27)24-15-10-7-11-16(12-15)28-20(21,22)23/h4-13,17H,3H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDINCSGVERFXVAZ-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.37
Rot. Bonds7

About N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide

N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide (PubChem CID 55550380) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
PubChem CID55550380
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
SMILESCCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O3/c1-3-13(2)17(25-18(26)14-8-5-4-6-9-14)19(27)24-15-10-7-11-16(12-15)28-20(21,22)23/h4-13,17H,3H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyDINCSGVERFXVAZ-UHFFFAOYSA-N
XLogP4.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-3-methyl-1-oxo-1-[3-(trifluoromethyl)anilino]pentan-2-yl]benzamide
CID 9138725
3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
CID 24626096
N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 8024166
N-[1-[3-(cyclopropanecarbonylamino)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46579081
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55824930
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[1-[3-(diethylaminomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55602409
N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylpropanoylamino)anilino]pentan-2-yl]benzamide
CID 46468316
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
CID 46539957
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
N-[1-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55727905

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide (CID 55550380) is N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide is CCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide?
The InChIKey is DINCSGVERFXVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-3-13(2)17(25-18(26)14-8-5-4-6-9-14)19(27)24-15-10-7-11-16(12-15)28-20(21,22)23/h4-13,17H,3H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide?
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide has a molecular weight of 394.39 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide is sourced from PubChem (CID 55550380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).