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

C16H10BrClF5NO — CID 118111909

IUPACN-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)(F)c1ccc(Br)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10BrClF5NO/c17-9-5-6-12(13(18)7-9)15(19,20)8-24-14(25)10-3-1-2-4-11(10)16(21,22)23/h1-7H,8H2,(H,24,25)
InChIKeyXGJCXUTXBBZKFC-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.64
Rot. Bonds4

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

N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide (PubChem CID 118111909) has the molecular formula C16H10BrClF5NO and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
PubChem CID118111909
Molecular FormulaC16H10BrClF5NO
Molecular Weight442.61 g/mol
Exact Mass440.96
IUPAC NameN-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)(F)c1ccc(Br)cc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10BrClF5NO/c17-9-5-6-12(13(18)7-9)15(19,20)8-24-14(25)10-3-1-2-4-11(10)16(21,22)23/h1-7H,8H2,(H,24,25)
InChIKeyXGJCXUTXBBZKFC-UHFFFAOYSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-bromophenyl)-2-oxoethyl]-4-chlorobenzamide
CID 335179
N-(2-chloro-6-fluorobenzyl)-2-methylbenzamide
CID 9878731
N-(2,4-Dichlorobenzyl)-2-(Trifluoromethyl)benzamide
CID 7928084
2-Bromo-n-(2-trifluoromethylbenzyl)benzamide
CID 60739755
N-[(2R)-2-(4-bromophenyl)-2,3,3,3-tetrafluoropropyl]benzamide
CID 172915017
N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 879871
5-bromo-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 977979
N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoro-2-(trifluoromethyl)benzamide
CID 9902983
N-[(2-chloro-6-fluorophenyl)methyl]-2-(trifluoromethyl)benzamide
CID 9923636
5-Bromo-7-chloro-2-(4-trifluoromethyl-benzyl)-2,3-dihydro-isoindol-1-one
CID 11632807
N-[2-(2,4-dichlorophenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 16382314
5-bromo-2-chloro-N-[(2,4-difluorophenyl)methyl]benzamide
CID 21352687

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide (CID 118111909) is N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide is O=C(NCC(F)(F)c1ccc(Br)cc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is XGJCXUTXBBZKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClF5NO/c17-9-5-6-12(13(18)7-9)15(19,20)8-24-14(25)10-3-1-2-4-11(10)16(21,22)23/h1-7H,8H2,(H,24,25).
What are the key properties of N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide?
N-[2-(4-bromo-2-chlorophenyl)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 442.61 g/mol, XLogP of 5.64, 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)-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 118111909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).