2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide

C10H8BrCl2F3N2O — CID 107790255

IUPAC2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(Br)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C10H8BrCl2F3N2O/c1-9(17,10(14,15)16)8(19)18-5-3-2-4(11)6(12)7(5)13/h2-3H,17H2,1H3,(H,18,19)
InChIKeyXRNAAMFBRRVAOF-UHFFFAOYSA-N
MW379.99 g/mol
LogP3.97
Rot. Bonds2

About 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 107790255) has the molecular formula C10H8BrCl2F3N2O and a molecular weight of 379.99 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID107790255
Molecular FormulaC10H8BrCl2F3N2O
Molecular Weight379.99 g/mol
Exact Mass377.91
IUPAC Name2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(Br)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C10H8BrCl2F3N2O/c1-9(17,10(14,15)16)8(19)18-5-3-2-4(11)6(12)7(5)13/h2-3H,17H2,1H3,(H,18,19)
InChIKeyXRNAAMFBRRVAOF-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.99
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide 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 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide (CID 107790255) is 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1ccc(Br)c(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is XRNAAMFBRRVAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2F3N2O/c1-9(17,10(14,15)16)8(19)18-5-3-2-4(11)6(12)7(5)13/h2-3H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 379.99 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromo-2,3-dichlorophenyl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 107790255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).