N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide

C12H12BrF3N2O2 — CID 103278143

IUPACN-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide
SMILESCCN(CC(N)=O)C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H12BrF3N2O2/c1-2-18(6-10(17)19)11(20)8-4-3-7(13)5-9(8)12(14,15)16/h3-5H,2,6H2,1H3,(H2,17,19)
InChIKeyYVNDKILALQHCFU-UHFFFAOYSA-N
MW353.14 g/mol
LogP2.42
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide

N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide (PubChem CID 103278143) has the molecular formula C12H12BrF3N2O2 and a molecular weight of 353.14 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide
PubChem CID103278143
Molecular FormulaC12H12BrF3N2O2
Molecular Weight353.14 g/mol
Exact Mass352.00
IUPAC NameN-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide
SMILESCCN(CC(N)=O)C(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H12BrF3N2O2/c1-2-18(6-10(17)19)11(20)8-4-3-7(13)5-9(8)12(14,15)16/h3-5H,2,6H2,1H3,(H2,17,19)
InChIKeyYVNDKILALQHCFU-UHFFFAOYSA-N
XLogP2.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.14
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113352643
4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide
CID 107332937
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-N-methyl-2-(trifluoromethyl)benzamide
CID 107332817
N-(2-amino-2-oxoethyl)-2-bromo-N-ethylbenzamide
CID 103102660
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146011270
4-bromo-N-(2-hydroxyethyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 107332877
N-(2-amino-2-oxoethyl)-5-bromo-2-fluoro-N-(2-methylpropyl)benzamide
CID 60732695
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzamide
CID 103924500
3-[[4-bromo-2-(trifluoromethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 107332607
4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555
N-(2-amino-2-oxoethyl)-2-bromo-N-ethyl-5-methoxybenzamide
CID 103102621

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide (CID 103278143) is N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide is CCN(CC(N)=O)C(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide?
The InChIKey is YVNDKILALQHCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O2/c1-2-18(6-10(17)19)11(20)8-4-3-7(13)5-9(8)12(14,15)16/h3-5H,2,6H2,1H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide?
N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide has a molecular weight of 353.14 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-bromo-N-ethyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 103278143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).