2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide

C15H11BrClF3N2O — CID 2532382

IUPAC2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide
SMILESO=C(CNc1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H11BrClF3N2O/c16-11-6-5-9(7-10(11)15(18,19)20)21-8-14(23)22-13-4-2-1-3-12(13)17/h1-7,21H,8H2,(H,22,23)
InChIKeyLXJLUYWPHRBNIK-UHFFFAOYSA-N
MW407.62 g/mol
LogP5.17
Rot. Bonds4

About 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide

2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide (PubChem CID 2532382) has the molecular formula C15H11BrClF3N2O and a molecular weight of 407.62 g/mol. Its IUPAC name is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide
PubChem CID2532382
Molecular FormulaC15H11BrClF3N2O
Molecular Weight407.62 g/mol
Exact Mass405.97
IUPAC Name2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide
SMILESO=C(CNc1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H11BrClF3N2O/c16-11-6-5-9(7-10(11)15(18,19)20)21-8-14(23)22-13-4-2-1-3-12(13)17/h1-7,21H,8H2,(H,22,23)
InChIKeyLXJLUYWPHRBNIK-UHFFFAOYSA-N
XLogP5.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.62
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide (CID 2532382) is 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide is O=C(CNc1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide?
The InChIKey is LXJLUYWPHRBNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClF3N2O/c16-11-6-5-9(7-10(11)15(18,19)20)21-8-14(23)22-13-4-2-1-3-12(13)17/h1-7,21H,8H2,(H,22,23).
What are the key properties of 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide?
2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide has a molecular weight of 407.62 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-3-(trifluoromethyl)anilino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 2532382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).