N-(5-bromopentyl)-2,3-dichlorobenzamide

C12H14BrCl2NO — CID 107321695

IUPACN-(5-bromopentyl)-2,3-dichlorobenzamide
SMILESO=C(NCCCCCBr)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14BrCl2NO/c13-7-2-1-3-8-16-12(17)9-5-4-6-10(14)11(9)15/h4-6H,1-3,7-8H2,(H,16,17)
InChIKeyKVPCSVCVMLVDNR-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.29
Rot. Bonds6

About N-(5-bromopentyl)-2,3-dichlorobenzamide

N-(5-bromopentyl)-2,3-dichlorobenzamide (PubChem CID 107321695) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(5-bromopentyl)-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2,3-dichlorobenzamide
PubChem CID107321695
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(5-bromopentyl)-2,3-dichlorobenzamide
SMILESO=C(NCCCCCBr)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14BrCl2NO/c13-7-2-1-3-8-16-12(17)9-5-4-6-10(14)11(9)15/h4-6H,1-3,7-8H2,(H,16,17)
InChIKeyKVPCSVCVMLVDNR-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.29
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

2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
N-(5-bromopentyl)-2-chloro-6-fluorobenzamide
CID 107321928
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
N-(5-bromopentyl)-2-chloro-5-hydroxybenzamide
CID 107321908
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
N-(3-bromopropyl)-2,6-dichlorobenzamide
CID 43133585
N-(6-bromohexyl)-2-iodobenzamide
CID 107847400
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2,3-dichlorobenzamide?
The IUPAC name of N-(5-bromopentyl)-2,3-dichlorobenzamide (CID 107321695) is N-(5-bromopentyl)-2,3-dichlorobenzamide.
What is the SMILES notation for N-(5-bromopentyl)-2,3-dichlorobenzamide?
The canonical SMILES for N-(5-bromopentyl)-2,3-dichlorobenzamide is O=C(NCCCCCBr)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(5-bromopentyl)-2,3-dichlorobenzamide?
The InChIKey is KVPCSVCVMLVDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c13-7-2-1-3-8-16-12(17)9-5-4-6-10(14)11(9)15/h4-6H,1-3,7-8H2,(H,16,17).
What are the key properties of N-(5-bromopentyl)-2,3-dichlorobenzamide?
N-(5-bromopentyl)-2,3-dichlorobenzamide has a molecular weight of 339.06 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2,3-dichlorobenzamide is sourced from PubChem (CID 107321695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).