4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C12H13BrF3NO2 — CID 163582712

IUPAC4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCc1cc(Br)cc(OC)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H13BrF3NO2/c1-3-7-4-8(13)5-9(19-2)10(7)11(18)17-6-12(14,15)16/h4-5H,3,6H2,1-2H3,(H,17,18)
InChIKeyGIXDOEHXIJICGZ-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.31
Rot. Bonds4

About 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide

4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 163582712) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID163582712
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC Name4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCc1cc(Br)cc(OC)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C12H13BrF3NO2/c1-3-7-4-8(13)5-9(19-2)10(7)11(18)17-6-12(14,15)16/h4-5H,3,6H2,1-2H3,(H,17,18)
InChIKeyGIXDOEHXIJICGZ-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 146275233
1-(4-bromo-2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-one
CID 158326677
4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 174363574
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
6-chloro-4-methoxy-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 172609966
N-(2-amino-2-methylpropyl)-4-bromo-2-methoxybenzamide
CID 81482472
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
1-(2,4-dibromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 103412409
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
methyl 4-bromo-2-ethyl-6-methylbenzoate
CID 130064455

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 163582712) is 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide is CCc1cc(Br)cc(OC)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is GIXDOEHXIJICGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c1-3-7-4-8(13)5-9(19-2)10(7)11(18)17-6-12(14,15)16/h4-5H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 340.14 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 163582712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).