N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide

C9H6BrClF3NO2 — CID 166517759

IUPACN-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cc(Cl)cc(Br)c1NC(=O)C(F)(F)F
InChIInChI=1S/C9H6BrClF3NO2/c1-17-6-3-4(11)2-5(10)7(6)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16)
InChIKeyMQMRPWGNIPOVFF-UHFFFAOYSA-N
MW332.50 g/mol
LogP3.61
Rot. Bonds2

About N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide

N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide (PubChem CID 166517759) has the molecular formula C9H6BrClF3NO2 and a molecular weight of 332.50 g/mol. Its IUPAC name is N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide
PubChem CID166517759
Molecular FormulaC9H6BrClF3NO2
Molecular Weight332.50 g/mol
Exact Mass330.92
IUPAC NameN-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide
SMILESCOc1cc(Cl)cc(Br)c1NC(=O)C(F)(F)F
InChIInChI=1S/C9H6BrClF3NO2/c1-17-6-3-4(11)2-5(10)7(6)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16)
InChIKeyMQMRPWGNIPOVFF-UHFFFAOYSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 156877036
N-[2,4-dibromo-6-[3,5-dibromo-2-[(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]-2,2,2-trifluoroacetamide
CID 11331444
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
1,3-bis(2,6-dibromo-4-chlorophenyl)urea
CID 3259704
methyl 5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 19170678
N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 23258549
2-(2-bromo-4-chloro-6-methoxyphenyl)acetic acid
CID 84811631
1-(2-amino-5-chloro-3-methoxyphenyl)-2,2,2-trifluoroethanone
CID 15923091
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
N-(5-bromo-4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 129147318
(2-bromo-4-chloro-6-methylphenyl) N-(4-chloro-2-methoxyphenyl)carbamate
CID 5161402
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide (CID 166517759) is N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide is COc1cc(Cl)cc(Br)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
The InChIKey is MQMRPWGNIPOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClF3NO2/c1-17-6-3-4(11)2-5(10)7(6)15-8(16)9(12,13)14/h2-3H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide?
N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide has a molecular weight of 332.50 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chloro-6-methoxyphenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 166517759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).