4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide

C12H14BrF3N2O — CID 107333120

IUPAC4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
SMILESCCNCCNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H14BrF3N2O/c1-2-17-5-6-18-11(19)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7,17H,2,5-6H2,1H3,(H,18,19)
InChIKeyIVUBUZGPJDOLEP-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.81
Rot. Bonds5

About 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide

4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 107333120) has the molecular formula C12H14BrF3N2O and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID107333120
Molecular FormulaC12H14BrF3N2O
Molecular Weight339.16 g/mol
Exact Mass338.02
IUPAC Name4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide
SMILESCCNCCNC(=O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C12H14BrF3N2O/c1-2-17-5-6-18-11(19)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7,17H,2,5-6H2,1H3,(H,18,19)
InChIKeyIVUBUZGPJDOLEP-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-iodoethyl)-2-(trifluoromethyl)benzamide
CID 107333591
4-bromo-N-(2-methylsulfanylethyl)-2-(trifluoromethyl)benzamide
CID 113352612
4-bromo-N-(2-ethylsulfinylethyl)-2-(trifluoromethyl)benzamide
CID 103925011
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
4-bromo-N-(6-hydroxyhexyl)-2-(trifluoromethyl)benzamide
CID 103925383
4-bromo-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)benzamide
CID 103925344
5-bromo-N-ethyl-2-(trifluoromethyl)benzamide
CID 146021308
4-bromo-N-(2-ethoxy-2-methylpropyl)-2-(trifluoromethyl)benzamide
CID 105343037
4-bromo-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)benzamide
CID 103925064
4-bromo-N-(2-but-3-enoxyethyl)-2-(trifluoromethyl)benzamide
CID 103925091
4-bromo-N-(2-hydroxy-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 103925349

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide (CID 107333120) is 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide is CCNCCNC(=O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is IVUBUZGPJDOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O/c1-2-17-5-6-18-11(19)9-4-3-8(13)7-10(9)12(14,15)16/h3-4,7,17H,2,5-6H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide?
4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 339.16 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(ethylamino)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 107333120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).