5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide

C15H22BrFN2O — CID 62816642

IUPAC5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H22BrFN2O/c1-4-10(5-2)9-19(6-3)15(20)11-7-14(18)13(17)8-12(11)16/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyLGYWYIIFNCBSQM-UHFFFAOYSA-N
MW345.26 g/mol
LogP4.07
Rot. Bonds6

About 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide

5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide (PubChem CID 62816642) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
PubChem CID62816642
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
SMILESCCC(CC)CN(CC)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H22BrFN2O/c1-4-10(5-2)9-19(6-3)15(20)11-7-14(18)13(17)8-12(11)16/h7-8,10H,4-6,9,18H2,1-3H3
InChIKeyLGYWYIIFNCBSQM-UHFFFAOYSA-N
XLogP4.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 62814927
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 43587095
5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62815256
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 62815261
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(3-methylbutyl)benzamide
CID 62815083

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide (CID 62816642) is 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide is CCC(CC)CN(CC)C(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide?
The InChIKey is LGYWYIIFNCBSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-4-10(5-2)9-19(6-3)15(20)11-7-14(18)13(17)8-12(11)16/h7-8,10H,4-6,9,18H2,1-3H3.
What are the key properties of 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide?
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide has a molecular weight of 345.26 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide is sourced from PubChem (CID 62816642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).