5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide

C15H22BrFN2O — CID 62815244

IUPAC5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H22BrFN2O/c1-3-5-7-19(8-6-4-2)15(20)11-9-14(18)13(17)10-12(11)16/h9-10H,3-8,18H2,1-2H3
InChIKeyLJWDGXZWQBFSJS-UHFFFAOYSA-N
MW345.26 g/mol
LogP4.21
Rot. Bonds7

About 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide

5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide (PubChem CID 62815244) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
PubChem CID62815244
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide
SMILESCCCCN(CCCC)C(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C15H22BrFN2O/c1-3-5-7-19(8-6-4-2)15(20)11-9-14(18)13(17)10-12(11)16/h9-10H,3-8,18H2,1-2H3
InChIKeyLJWDGXZWQBFSJS-UHFFFAOYSA-N
XLogP4.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 54.21
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-4-fluoro-N-hexyl-N-(2-hydroxyethyl)benzamide
CID 62815261
5-amino-N,N-dibutyl-2,4-difluorobenzamide
CID 61095334
5-amino-2-bromo-N-ethyl-4-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 62814927
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-N-butyl-4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzamide
CID 62160550
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
heptyl 5-amino-2-bromo-4-fluorobenzoate
CID 63447062
5-amino-2-bromo-4-fluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 62815256
2-(dimethylamino)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 62814937
methyl 4-[(5-amino-2-bromo-4-fluorobenzoyl)-methylamino]butanoate
CID 62816474
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide?
The IUPAC name of 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide (CID 62815244) is 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide.
What is the SMILES notation for 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide?
The canonical SMILES for 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide is CCCCN(CCCC)C(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide?
The InChIKey is LJWDGXZWQBFSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-3-5-7-19(8-6-4-2)15(20)11-9-14(18)13(17)10-12(11)16/h9-10H,3-8,18H2,1-2H3.
What are the key properties of 5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide?
5-amino-2-bromo-N,N-dibutyl-4-fluorobenzamide has a molecular weight of 345.26 g/mol, XLogP of 4.21, 7 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,N-dibutyl-4-fluorobenzamide is sourced from PubChem (CID 62815244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).