4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide

C20H21F3N2O4 — CID 4852669

IUPAC4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(C)C)cc1
InChIInChI=1S/C20H21F3N2O4/c1-12(2)17(25-18(26)13-4-8-15(28-3)9-5-13)19(27)24-14-6-10-16(11-7-14)29-20(21,22)23/h4-12,17H,1-3H3,(H,24,27)(H,25,26)
InChIKeyCTBBXEJLPXZHIK-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.99
Rot. Bonds7

About 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide (PubChem CID 4852669) has the molecular formula C20H21F3N2O4 and a molecular weight of 410.39 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
PubChem CID4852669
Molecular FormulaC20H21F3N2O4
Molecular Weight410.39 g/mol
Exact Mass410.15
IUPAC Name4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(C)C)cc1
InChIInChI=1S/C20H21F3N2O4/c1-12(2)17(25-18(26)13-4-8-15(28-3)9-5-13)19(27)24-14-6-10-16(11-7-14)29-20(21,22)23/h4-12,17H,1-3H3,(H,24,27)(H,25,26)
InChIKeyCTBBXEJLPXZHIK-UHFFFAOYSA-N
XLogP3.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 8024166
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 42909230
N-[1-[4-(cyclopropylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55531749
4-methoxy-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]benzamide
CID 46535547
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
N-[(2S)-1-(3-bromoanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 9138331
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-benzamido-3-methylbutanoate
CID 55315824
N-[1-[[6-(4-fluorophenoxy)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55714129
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-[(2R)-1-anilino-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 1203053

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide (CID 4852669) is 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide?
The InChIKey is CTBBXEJLPXZHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4/c1-12(2)17(25-18(26)13-4-8-15(28-3)9-5-13)19(27)24-14-6-10-16(11-7-14)29-20(21,22)23/h4-12,17H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide has a molecular weight of 410.39 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 4852669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).