4-bromo-2-fluoro-N-(2-methylbutyl)benzamide

C12H15BrFNO — CID 55210019

IUPAC4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO/c1-3-8(2)7-15-12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyQXDVTALVGATUAL-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.36
Rot. Bonds4

About 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide

4-bromo-2-fluoro-N-(2-methylbutyl)benzamide (PubChem CID 55210019) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
PubChem CID55210019
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
SMILESCCC(C)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFNO/c1-3-8(2)7-15-12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16)
InChIKeyQXDVTALVGATUAL-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
CID 120650065
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
5-bromo-2-hydroxy-N-(2-methylbutyl)benzamide
CID 107729737
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
CID 54949695
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
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4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide (CID 55210019) is 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide is CCC(C)CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide?
The InChIKey is QXDVTALVGATUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-3-8(2)7-15-12(16)10-5-4-9(13)6-11(10)14/h4-6,8H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide?
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide has a molecular weight of 288.16 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 55210019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).