2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide

C13H17BrFNO — CID 43296128

IUPAC2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H17BrFNO/c1-4-9(2)8-16(3)13(17)11-7-10(15)5-6-12(11)14/h5-7,9H,4,8H2,1-3H3
InChIKeyWUPNGKHDGREJTF-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.71
Rot. Bonds4

About 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide

2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide (PubChem CID 43296128) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
PubChem CID43296128
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(C)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C13H17BrFNO/c1-4-9(2)8-16(3)13(17)11-7-10(15)5-6-12(11)14/h5-7,9H,4,8H2,1-3H3
InChIKeyWUPNGKHDGREJTF-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-[methyl(2-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 65372268
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
2,5-difluoro-N-methyl-N-(2-methylbutyl)-3-sulfamoylbenzamide
CID 65387583
4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43216100
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 107363082
2-fluoro-4-methoxy-N-methyl-N-(2-methylbutyl)benzamide
CID 113234175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide (CID 43296128) is 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide is CCC(C)CN(C)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide?
The InChIKey is WUPNGKHDGREJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-4-9(2)8-16(3)13(17)11-7-10(15)5-6-12(11)14/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide?
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide has a molecular weight of 302.19 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 43296128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).