N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

C9H3BrClF6NO — CID 162421308

IUPACN-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(C(F)(F)F)c(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C9H3BrClF6NO/c10-4-2-5(11)6(1-3(4)8(12,13)14)18-7(19)9(15,16)17/h1-2H,(H,18,19)
InChIKeyHGSHXYSJYQUVOM-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.62
Rot. Bonds1

About N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 162421308) has the molecular formula C9H3BrClF6NO and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID162421308
Molecular FormulaC9H3BrClF6NO
Molecular Weight370.47 g/mol
Exact Mass368.90
IUPAC NameN-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(C(F)(F)F)c(Br)cc1Cl)C(F)(F)F
InChIInChI=1S/C9H3BrClF6NO/c10-4-2-5(11)6(1-3(4)8(12,13)14)18-7(19)9(15,16)17/h1-2H,(H,18,19)
InChIKeyHGSHXYSJYQUVOM-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 129147318
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 145284883
N-(3,5-dibromo-2-fluorophenyl)-2,2,2-trifluoroacetamide
CID 125116732
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19170678
N-(3,5-dichloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 162537552
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
tert-butyl N-[4-bromo-2-fluoro-5-(trifluoromethyl)phenyl]carbamate
CID 91756947
5-bromo-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]benzenesulfonyl chloride
CID 82757191
5-bromo-2-chloro-4-(trifluoromethyl)aniline
CID 121227632
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (CID 162421308) is N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1cc(C(F)(F)F)c(Br)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is HGSHXYSJYQUVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF6NO/c10-4-2-5(11)6(1-3(4)8(12,13)14)18-7(19)9(15,16)17/h1-2H,(H,18,19).
What are the key properties of N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 370.47 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162421308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).