N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

C15H10Br2F3NO — CID 67184957

IUPACN-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(Br)c1Br
InChIInChI=1S/C15H10Br2F3NO/c16-11-5-2-6-12(14(11)17)21-13(22)8-9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyJQROVWSDXIBCDB-UHFFFAOYSA-N
MW437.05 g/mol
LogP5.41
Rot. Bonds3

About N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 67184957) has the molecular formula C15H10Br2F3NO and a molecular weight of 437.05 g/mol. Its IUPAC name is N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID67184957
Molecular FormulaC15H10Br2F3NO
Molecular Weight437.05 g/mol
Exact Mass434.91
IUPAC NameN-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(Br)c1Br
InChIInChI=1S/C15H10Br2F3NO/c16-11-5-2-6-12(14(11)17)21-13(22)8-9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyJQROVWSDXIBCDB-UHFFFAOYSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.05
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119440376
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119440375
1-(2-bromophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62829314
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-(3-chloro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 39959255
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 18190867
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848940

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 67184957) is N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(Br)c1Br.
What is the InChIKey of N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JQROVWSDXIBCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2F3NO/c16-11-5-2-6-12(14(11)17)21-13(22)8-9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 437.05 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dibromophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 67184957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).