2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide

C10H8BrCl2F3N2O — CID 104589231

IUPAC2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccc(Br)c(Cl)c1Cl)NCC(F)(F)F
InChIInChI=1S/C10H8BrCl2F3N2O/c11-5-1-2-6(9(13)8(5)12)17-3-7(19)18-4-10(14,15)16/h1-2,17H,3-4H2,(H,18,19)
InChIKeyFQXFTBCLRLHRIR-UHFFFAOYSA-N
MW379.99 g/mol
LogP3.85
Rot. Bonds4

About 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 104589231) has the molecular formula C10H8BrCl2F3N2O and a molecular weight of 379.99 g/mol. Its IUPAC name is 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID104589231
Molecular FormulaC10H8BrCl2F3N2O
Molecular Weight379.99 g/mol
Exact Mass377.91
IUPAC Name2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNc1ccc(Br)c(Cl)c1Cl)NCC(F)(F)F
InChIInChI=1S/C10H8BrCl2F3N2O/c11-5-1-2-6(9(13)8(5)12)17-3-7(19)18-4-10(14,15)16/h1-2,17H,3-4H2,(H,18,19)
InChIKeyFQXFTBCLRLHRIR-UHFFFAOYSA-N
XLogP3.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.99
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 104589231) is 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNc1ccc(Br)c(Cl)c1Cl)NCC(F)(F)F.
What is the InChIKey of 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FQXFTBCLRLHRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrCl2F3N2O/c11-5-1-2-6(9(13)8(5)12)17-3-7(19)18-4-10(14,15)16/h1-2,17H,3-4H2,(H,18,19).
What are the key properties of 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 379.99 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,3-dichloroanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 104589231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).