N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

C15H21F3N2O — CID 119588010

IUPACN-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CC(CN)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(2)6-13(9-19)20-14(21)8-11-4-3-5-12(7-11)15(16,17)18/h3-5,7,10,13H,6,8-9,19H2,1-2H3,(H,20,21)
InChIKeyLFOXDOSXFWBAPF-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.74
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 119588010) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID119588010
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CC(CN)NC(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(2)6-13(9-19)20-14(21)8-11-4-3-5-12(7-11)15(16,17)18/h3-5,7,10,13H,6,8-9,19H2,1-2H3,(H,20,21)
InChIKeyLFOXDOSXFWBAPF-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
methyl (2S)-3-phenyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 8010923
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119524236
N-[(1R)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8025350
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103799111
4-(4-chlorophenyl)-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 67362415
3-[[2-(3-methoxyphenyl)acetyl]amino]-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 67361234

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 119588010) is N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)CC(CN)NC(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LFOXDOSXFWBAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)6-13(9-19)20-14(21)8-11-4-3-5-12(7-11)15(16,17)18/h3-5,7,10,13H,6,8-9,19H2,1-2H3,(H,20,21).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 119588010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).