4-bromo-N-(5-chloropentyl)-2-fluorobenzamide

C12H14BrClFNO — CID 107321212

IUPAC4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
SMILESO=C(NCCCCCCl)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrClFNO/c13-9-4-5-10(11(15)8-9)12(17)16-7-3-1-2-6-14/h4-5,8H,1-3,6-7H2,(H,16,17)
InChIKeyDHIXNOSREQBUDE-UHFFFAOYSA-N
MW322.61 g/mol
LogP3.73
Rot. Bonds6

About 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide

4-bromo-N-(5-chloropentyl)-2-fluorobenzamide (PubChem CID 107321212) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
PubChem CID107321212
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC Name4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
SMILESO=C(NCCCCCCl)c1ccc(Br)cc1F
InChIInChI=1S/C12H14BrClFNO/c13-9-4-5-10(11(15)8-9)12(17)16-7-3-1-2-6-14/h4-5,8H,1-3,6-7H2,(H,16,17)
InChIKeyDHIXNOSREQBUDE-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
4-bromo-N-(6-bromohexyl)-2-fluorobenzamide
CID 114008594
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
N-(3-azidopropyl)-4-bromo-2-fluorobenzamide
CID 61344699
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
4-bromo-N-(3-chlorobutyl)-2-fluorobenzamide
CID 114301911
2-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide (CID 107321212) is 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide is O=C(NCCCCCCl)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide?
The InChIKey is DHIXNOSREQBUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO/c13-9-4-5-10(11(15)8-9)12(17)16-7-3-1-2-6-14/h4-5,8H,1-3,6-7H2,(H,16,17).
What are the key properties of 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide?
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide has a molecular weight of 322.61 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloropentyl)-2-fluorobenzamide is sourced from PubChem (CID 107321212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).