4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide

C11H12BrClFNO — CID 114301911

IUPAC4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
SMILESCC(Cl)CCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrClFNO/c1-7(13)4-5-15-11(16)9-3-2-8(12)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyDDHLRWOESUUGLM-UHFFFAOYSA-N
MW308.58 g/mol
LogP3.34
Rot. Bonds4

About 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide

4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide (PubChem CID 114301911) has the molecular formula C11H12BrClFNO and a molecular weight of 308.58 g/mol. Its IUPAC name is 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
PubChem CID114301911
Molecular FormulaC11H12BrClFNO
Molecular Weight308.58 g/mol
Exact Mass306.98
IUPAC Name4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
SMILESCC(Cl)CCNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H12BrClFNO/c1-7(13)4-5-15-11(16)9-3-2-8(12)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16)
InChIKeyDDHLRWOESUUGLM-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
N-(3-bromobutyl)-2,4-difluorobenzamide
CID 114312638
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
4-bromo-2-fluoro-N-[2-(propylamino)ethyl]benzamide
CID 62659198
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide (CID 114301911) is 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide is CC(Cl)CCNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide?
The InChIKey is DDHLRWOESUUGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFNO/c1-7(13)4-5-15-11(16)9-3-2-8(12)6-10(9)14/h2-3,6-7H,4-5H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide?
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide has a molecular weight of 308.58 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide is sourced from PubChem (CID 114301911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).