N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C23H23F3N2O2 — CID 162546626

IUPACN-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESC[C@@H](CN)CC1C=Cc2c(NC(=O)Cc3ccc(C(F)(F)F)cc3)cccc2C1=O
InChIInChI=1S/C23H23F3N2O2/c1-14(13-27)11-16-7-10-18-19(22(16)30)3-2-4-20(18)28-21(29)12-15-5-8-17(9-6-15)23(24,25)26/h2-10,14,16H,11-13,27H2,1H3,(H,28,29)/t14-,16?/m1/s1
InChIKeyZEHOYSATIYGCGV-IURRXHLWSA-N
MW416.44 g/mol
LogP4.70
Rot. Bonds6

About N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 162546626) has the molecular formula C23H23F3N2O2 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID162546626
Molecular FormulaC23H23F3N2O2
Molecular Weight416.44 g/mol
Exact Mass416.17
IUPAC NameN-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESC[C@@H](CN)CC1C=Cc2c(NC(=O)Cc3ccc(C(F)(F)F)cc3)cccc2C1=O
InChIInChI=1S/C23H23F3N2O2/c1-14(13-27)11-16-7-10-18-19(22(16)30)3-2-4-20(18)28-21(29)12-15-5-8-17(9-6-15)23(24,25)26/h2-10,14,16H,11-13,27H2,1H3,(H,28,29)/t14-,16?/m1/s1
InChIKeyZEHOYSATIYGCGV-IURRXHLWSA-N
XLogP4.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 162546626) is N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is C[C@@H](CN)CC1C=Cc2c(NC(=O)Cc3ccc(C(F)(F)F)cc3)cccc2C1=O.
What is the InChIKey of N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZEHOYSATIYGCGV-IURRXHLWSA-N. The full InChI is InChI=1S/C23H23F3N2O2/c1-14(13-27)11-16-7-10-18-19(22(16)30)3-2-4-20(18)28-21(29)12-15-5-8-17(9-6-15)23(24,25)26/h2-10,14,16H,11-13,27H2,1H3,(H,28,29)/t14-,16?/m1/s1.
What are the key properties of N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 416.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-3-amino-2-methylpropyl]-5-oxo-6H-naphthalen-1-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 162546626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).