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

C19H19F3N2O3 — CID 8024166

IUPACN-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12(2)16(24-17(25)13-6-4-3-5-7-13)18(26)23-14-8-10-15(11-9-14)27-19(20,21)22/h3-12,16H,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyIVMKLXRCKHGPII-INIZCTEOSA-N
MW380.37 g/mol
LogP3.98
Rot. Bonds6

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

N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide (PubChem CID 8024166) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
PubChem CID8024166
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
SMILESCC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12(2)16(24-17(25)13-6-4-3-5-7-13)18(26)23-14-8-10-15(11-9-14)27-19(20,21)22/h3-12,16H,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyIVMKLXRCKHGPII-INIZCTEOSA-N
XLogP3.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide
CID 4852669
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-benzamido-3-methylbutanoate
CID 55315824
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
CID 55550380
4-[[2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 55342319
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
4-chloro-N-[(2S)-3-methyl-1-oxo-1-(4-phenylanilino)butan-2-yl]benzamide
CID 2551732
N-[(2S,3S)-3-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 9138580
N-[4-oxo-4-[4-(trifluoromethoxy)anilino]butyl]benzamide
CID 39753699
2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 3924237
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 55355341

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide (CID 8024166) is N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide?
The InChIKey is IVMKLXRCKHGPII-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12(2)16(24-17(25)13-6-4-3-5-7-13)18(26)23-14-8-10-15(11-9-14)27-19(20,21)22/h3-12,16H,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide?
N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-[4-(trifluoromethoxy)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 8024166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).