2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

C12H13F3N2O4 — CID 14786043

IUPAC2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O4/c1-11(2,19)10(18)16(3)7-4-5-9(17(20)21)8(6-7)12(13,14)15/h4-6,19H,1-3H3
InChIKeyQZPMSPBDFFTFCA-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.35
Rot. Bonds3

About 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 14786043) has the molecular formula C12H13F3N2O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID14786043
Molecular FormulaC12H13F3N2O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC Name2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
SMILESCN(C(=O)C(C)(C)O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O4/c1-11(2,19)10(18)16(3)7-4-5-9(17(20)21)8(6-7)12(13,14)15/h4-6,19H,1-3H3
InChIKeyQZPMSPBDFFTFCA-UHFFFAOYSA-N
XLogP2.35
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (CID 14786043) is 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide is CN(C(=O)C(C)(C)O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1.
What is the InChIKey of 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QZPMSPBDFFTFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O4/c1-11(2,19)10(18)16(3)7-4-5-9(17(20)21)8(6-7)12(13,14)15/h4-6,19H,1-3H3.
What are the key properties of 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide?
2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 306.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,2-dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 14786043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).