N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide

C12H12BrF3N2O3 — CID 103819837

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide
SMILESNC(=O)COCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H12BrF3N2O3/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)18-3-4-21-6-10(17)19/h1-2,5H,3-4,6H2,(H2,17,19)(H,18,20)
InChIKeyLKUVVKWQJGYSEM-UHFFFAOYSA-N
MW369.14 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide (PubChem CID 103819837) has the molecular formula C12H12BrF3N2O3 and a molecular weight of 369.14 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide
PubChem CID103819837
Molecular FormulaC12H12BrF3N2O3
Molecular Weight369.14 g/mol
Exact Mass368.00
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide
SMILESNC(=O)COCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H12BrF3N2O3/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)18-3-4-21-6-10(17)19/h1-2,5H,3-4,6H2,(H2,17,19)(H,18,20)
InChIKeyLKUVVKWQJGYSEM-UHFFFAOYSA-N
XLogP1.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(2-ethoxyethyl)-3-(trifluoromethyl)benzamide
CID 81433232
N-(4-amino-4-oxobutyl)-4-bromo-3-(trifluoromethyl)benzamide
CID 81449301
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
4-bromo-N-(4-bromobutyl)-3-(trifluoromethyl)benzamide
CID 106845802
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
4-bromo-N-[3-(2-chloroethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106306628
3-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]benzoic acid
CID 114162738
4-bromo-N-(3-chloro-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243738
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoropyridine-4-carboxamide
CID 103767645
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-5-bromobenzamide
CID 106233317
3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-4-(dimethylamino)benzamide
CID 106233433
4-bromo-3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 60730880

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide (CID 103819837) is N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide is NC(=O)COCCNC(=O)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide?
The InChIKey is LKUVVKWQJGYSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O3/c13-9-2-1-7(5-8(9)12(14,15)16)11(20)18-3-4-21-6-10(17)19/h1-2,5H,3-4,6H2,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide has a molecular weight of 369.14 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-4-bromo-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 103819837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).