N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

C21H25F3N2O — CID 9221610

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H25F3N2O/c1-4-15(2)18-7-5-6-8-19(18)25-20(27)14-26(3)13-16-9-11-17(12-10-16)21(22,23)24/h5-12,15H,4,13-14H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyGECLUDQZBWHNCD-OAHLLOKOSA-N
MW378.44 g/mol
LogP5.29
Rot. Bonds7

About N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 9221610) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID9221610
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCC[C@@H](C)c1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H25F3N2O/c1-4-15(2)18-7-5-6-8-19(18)25-20(27)14-26(3)13-16-9-11-17(12-10-16)21(22,23)24/h5-12,15H,4,13-14H2,1-3H3,(H,25,27)/t15-/m1/s1
InChIKeyGECLUDQZBWHNCD-OAHLLOKOSA-N
XLogP5.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9252027
4-[[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003259
N-(2-acetylphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221698
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7838504
2-[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250691
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-(2,5-difluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 2575958
N-(5-chloro-2-fluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221530
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
2-[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24506960
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 9221610) is N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is CC[C@@H](C)c1ccccc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is GECLUDQZBWHNCD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25F3N2O/c1-4-15(2)18-7-5-6-8-19(18)25-20(27)14-26(3)13-16-9-11-17(12-10-16)21(22,23)24/h5-12,15H,4,13-14H2,1-3H3,(H,25,27)/t15-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 378.44 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 9221610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).