(2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide

C13H16BrF3N2O2 — CID 70640459

IUPAC(2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
SMILESNC(=O)C(CCNCC(O)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrF3N2O2/c14-9-3-1-8(2-4-9)10(12(18)21)5-6-19-7-11(20)13(15,16)17/h1-4,10-11,19-20H,5-7H2,(H2,18,21)
InChIKeyRGSJLIXLFZHMHU-UHFFFAOYSA-N
MW369.18 g/mol
LogP1.92
Rot. Bonds7

About (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide

(2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide (PubChem CID 70640459) has the molecular formula C13H16BrF3N2O2 and a molecular weight of 369.18 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
PubChem CID70640459
Molecular FormulaC13H16BrF3N2O2
Molecular Weight369.18 g/mol
Exact Mass368.03
IUPAC Name(2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
SMILESNC(=O)C(CCNCC(O)C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C13H16BrF3N2O2/c14-9-3-1-8(2-4-9)10(12(18)21)5-6-19-7-11(20)13(15,16)17/h1-4,10-11,19-20H,5-7H2,(H2,18,21)
InChIKeyRGSJLIXLFZHMHU-UHFFFAOYSA-N
XLogP1.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide?
The IUPAC name of (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide (CID 70640459) is (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide?
The canonical SMILES for (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide is NC(=O)C(CCNCC(O)C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide?
The InChIKey is RGSJLIXLFZHMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF3N2O2/c14-9-3-1-8(2-4-9)10(12(18)21)5-6-19-7-11(20)13(15,16)17/h1-4,10-11,19-20H,5-7H2,(H2,18,21).
What are the key properties of (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide?
(2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide has a molecular weight of 369.18 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide is sourced from PubChem (CID 70640459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).