2-bromo-4-fluoro-N-(3-methylbutyl)benzamide

C12H15BrFNO — CID 24700389

IUPAC2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO/c1-8(2)5-6-15-12(16)10-4-3-9(14)7-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyZGXVDHJCFQDTQJ-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.36
Rot. Bonds4

About 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide

2-bromo-4-fluoro-N-(3-methylbutyl)benzamide (PubChem CID 24700389) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
PubChem CID24700389
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO/c1-8(2)5-6-15-12(16)10-4-3-9(14)7-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyZGXVDHJCFQDTQJ-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

2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
2-bromo-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-fluorobenzamide
CID 95167793
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
3-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62675482
2-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-4-fluorobenzamide
CID 83120854
2-bromo-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119507213
2-bromo-N-(4-bromobutyl)-4-fluorobenzamide
CID 106845591
2-bromo-4-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965919
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
4-[(2-bromo-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81064448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide (CID 24700389) is 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide?
The InChIKey is ZGXVDHJCFQDTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-8(2)5-6-15-12(16)10-4-3-9(14)7-11(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide?
2-bromo-4-fluoro-N-(3-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 2-bromo-4-fluoro-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 24700389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).