N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H10F3N3O4 — CID 103894413

IUPACN-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)5-14-4-9(18)15-7-3-6(16(19)20)1-2-8(7)17/h1-3,14,17H,4-5H2,(H,15,18)
InChIKeyBNTBRTDCDJSNMP-UHFFFAOYSA-N
MW293.20 g/mol
LogP1.39
Rot. Bonds5

About N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103894413) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103894413
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)5-14-4-9(18)15-7-3-6(16(19)20)1-2-8(7)17/h1-3,14,17H,4-5H2,(H,15,18)
InChIKeyBNTBRTDCDJSNMP-UHFFFAOYSA-N
XLogP1.39
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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 N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 103894413) is N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is BNTBRTDCDJSNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O4/c11-10(12,13)5-14-4-9(18)15-7-3-6(16(19)20)1-2-8(7)17/h1-3,14,17H,4-5H2,(H,15,18).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 293.20 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103894413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).