N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide

C15H7BrClF6NO — CID 2268598

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H7BrClF6NO/c16-9-1-2-12(17)11(6-9)13(25)24-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,24,25)
InChIKeyZGIOUSZKVBAGCD-UHFFFAOYSA-N
MW446.57 g/mol
LogP6.39
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide (PubChem CID 2268598) has the molecular formula C15H7BrClF6NO and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
PubChem CID2268598
Molecular FormulaC15H7BrClF6NO
Molecular Weight446.57 g/mol
Exact Mass444.93
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H7BrClF6NO/c16-9-1-2-12(17)11(6-9)13(25)24-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,24,25)
InChIKeyZGIOUSZKVBAGCD-UHFFFAOYSA-N
XLogP6.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.57
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide 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 N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide (CID 2268598) is N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Br)ccc1Cl.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide?
The InChIKey is ZGIOUSZKVBAGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClF6NO/c16-9-1-2-12(17)11(6-9)13(25)24-10-4-7(14(18,19)20)3-8(5-10)15(21,22)23/h1-6H,(H,24,25).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide has a molecular weight of 446.57 g/mol, XLogP of 6.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-bromo-2-chlorobenzamide is sourced from PubChem (CID 2268598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).