5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide

C15H22BrFN2O2 — CID 62815261

IUPAC5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
SMILESCCCCCCN(CCO)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H22BrFN2O2/c1-2-3-4-5-6-19(7-8-20)15(21)11-9-14(18)13(17)10-12(11)16/h9-10,20H,2-8,18H2,1H3
InChIKeyYQIGFCYESOMVTF-UHFFFAOYSA-N
MW361.26 g/mol
LogP3.19
Rot. Bonds8

About 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide

5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide (PubChem CID 62815261) has the molecular formula C15H22BrFN2O2 and a molecular weight of 361.26 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
PubChem CID62815261
Molecular FormulaC15H22BrFN2O2
Molecular Weight361.26 g/mol
Exact Mass360.08
IUPAC Name5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
SMILESCCCCCCN(CCO)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H22BrFN2O2/c1-2-3-4-5-6-19(7-8-20)15(21)11-9-14(18)13(17)10-12(11)16/h9-10,20H,2-8,18H2,1H3
InChIKeyYQIGFCYESOMVTF-UHFFFAOYSA-N
XLogP3.19
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
CID 62815244
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
5-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62160550
2-bromo-6-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 114559534
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 62814927
heptyl 5-amino-2-bromo-4-fluorobenzoate
CID 63447062
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 62816289
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107872372
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
6-amino-N-butyl-N-(2-hydroxyethyl)-1,3-benzodioxole-5-carboxamide
CID 103542913

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide (CID 62815261) is 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide is CCCCCCN(CCO)C(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is YQIGFCYESOMVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O2/c1-2-3-4-5-6-19(7-8-20)15(21)11-9-14(18)13(17)10-12(11)16/h9-10,20H,2-8,18H2,1H3.
What are the key properties of 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide?
5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 361.26 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 62815261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).