N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide

C16H15F3N2O2 — CID 176734862

IUPACN-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2cccc(C(F)(F)F)c2)c(N)c1O
InChIInChI=1S/C16H15F3N2O2/c1-9(22)21-13-6-5-11(14(20)15(13)23)7-10-3-2-4-12(8-10)16(17,18)19/h2-6,8,23H,7,20H2,1H3,(H,21,22)
InChIKeyNAPHKMGDYDHSTP-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.54
Rot. Bonds3

About N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide

N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide (PubChem CID 176734862) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide
PubChem CID176734862
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Cc2cccc(C(F)(F)F)c2)c(N)c1O
InChIInChI=1S/C16H15F3N2O2/c1-9(22)21-13-6-5-11(14(20)15(13)23)7-10-3-2-4-12(8-10)16(17,18)19/h2-6,8,23H,7,20H2,1H3,(H,21,22)
InChIKeyNAPHKMGDYDHSTP-UHFFFAOYSA-N
XLogP3.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide?
The IUPAC name of N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide (CID 176734862) is N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(Cc2cccc(C(F)(F)F)c2)c(N)c1O.
What is the InChIKey of N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide?
The InChIKey is NAPHKMGDYDHSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-9(22)21-13-6-5-11(14(20)15(13)23)7-10-3-2-4-12(8-10)16(17,18)19/h2-6,8,23H,7,20H2,1H3,(H,21,22).
What are the key properties of N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide?
N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide has a molecular weight of 324.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-hydroxy-4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]acetamide is sourced from PubChem (CID 176734862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).