N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide

C16H11BrClF4NO — CID 118111950

IUPACN-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)c1ccc(Br)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11BrClF4NO/c17-9-5-6-11(13(18)7-9)14(19)8-23-15(24)10-3-1-2-4-12(10)16(20,21)22/h1-7,14H,8H2,(H,23,24)
InChIKeyRCEXCPPIMXLNBS-UHFFFAOYSA-N
MW424.62 g/mol
LogP5.56
Rot. Bonds4

About N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide

N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide (PubChem CID 118111950) has the molecular formula C16H11BrClF4NO and a molecular weight of 424.62 g/mol. Its IUPAC name is N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide
PubChem CID118111950
Molecular FormulaC16H11BrClF4NO
Molecular Weight424.62 g/mol
Exact Mass422.96
IUPAC NameN-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)c1ccc(Br)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H11BrClF4NO/c17-9-5-6-11(13(18)7-9)14(19)8-23-15(24)10-3-1-2-4-12(10)16(20,21)22/h1-7,14H,8H2,(H,23,24)
InChIKeyRCEXCPPIMXLNBS-UHFFFAOYSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.62
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide (CID 118111950) is N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide is O=C(NCC(F)c1ccc(Br)cc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is RCEXCPPIMXLNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClF4NO/c17-9-5-6-11(13(18)7-9)14(19)8-23-15(24)10-3-1-2-4-12(10)16(20,21)22/h1-7,14H,8H2,(H,23,24).
What are the key properties of N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide?
N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 424.62 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-chlorophenyl)-2-fluoroethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118111950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).