(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide

C10H10BrF3N2O — CID 54995593

IUPAC(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3N2O/c1-5(15)9(17)16-8-3-2-6(11)4-7(8)10(12,13)14/h2-5H,15H2,1H3,(H,16,17)/t5-/m1/s1
InChIKeyPUPDYSRGLOJIIQ-RXMQYKEDSA-N
MW311.10 g/mol
LogP2.75
Rot. Bonds2

About (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide

(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 54995593) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
PubChem CID54995593
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3N2O/c1-5(15)9(17)16-8-3-2-6(11)4-7(8)10(12,13)14/h2-5H,15H2,1H3,(H,16,17)/t5-/m1/s1
InChIKeyPUPDYSRGLOJIIQ-RXMQYKEDSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide
CID 107904014
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103515406
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 113225657
3-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264263
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
N-[4-bromo-2-(trifluoromethyl)phenyl]butanamide
CID 64590919
3-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropanamide
CID 60790963
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 2779486

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide (CID 54995593) is (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is PUPDYSRGLOJIIQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-5(15)9(17)16-8-3-2-6(11)4-7(8)10(12,13)14/h2-5H,15H2,1H3,(H,16,17)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide?
(2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 311.10 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 54995593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).