2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide

C12H15F3N2O2 — CID 75426120

IUPAC2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NCCCO
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-17-11(19)9-4-1-2-5-10(9)16-6-3-7-18/h1-2,4-5,16,18H,3,6-8H2,(H,17,19)
InChIKeySAKGLWXITFVWHB-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.77
Rot. Bonds6

About 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide

2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 75426120) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID75426120
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NCCCO
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-17-11(19)9-4-1-2-5-10(9)16-6-3-7-18/h1-2,4-5,16,18H,3,6-8H2,(H,17,19)
InChIKeySAKGLWXITFVWHB-UHFFFAOYSA-N
XLogP1.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 75426120) is 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccccc1NCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is SAKGLWXITFVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)8-17-11(19)9-4-1-2-5-10(9)16-6-3-7-18/h1-2,4-5,16,18H,3,6-8H2,(H,17,19).
What are the key properties of 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide?
2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 75426120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).