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

C12H14BrCl2NO — CID 107322072

IUPACN-(5-bromopentyl)-3,5-dichlorobenzamide
SMILESO=C(NCCCCCBr)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO/c13-4-2-1-3-5-16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,1-5H2,(H,16,17)
InChIKeyCEUJDPLAHWWNOS-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.29
Rot. Bonds6

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

N-(5-bromopentyl)-3,5-dichlorobenzamide (PubChem CID 107322072) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is N-(5-bromopentyl)-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-3,5-dichlorobenzamide
PubChem CID107322072
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC NameN-(5-bromopentyl)-3,5-dichlorobenzamide
SMILESO=C(NCCCCCBr)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H14BrCl2NO/c13-4-2-1-3-5-16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,1-5H2,(H,16,17)
InChIKeyCEUJDPLAHWWNOS-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

N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3,5-dichloro-N-propylbenzamide
CID 2767298
3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
2-bromo-N-(6-bromohexyl)-5-chlorobenzamide
CID 114026635
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
3-amino-5-chloro-N-(5-methoxypentyl)benzamide
CID 114129389
3-bromo-5-chloro-N-hex-5-ynylbenzamide
CID 103827024

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-3,5-dichlorobenzamide?
The IUPAC name of N-(5-bromopentyl)-3,5-dichlorobenzamide (CID 107322072) is N-(5-bromopentyl)-3,5-dichlorobenzamide.
What is the SMILES notation for N-(5-bromopentyl)-3,5-dichlorobenzamide?
The canonical SMILES for N-(5-bromopentyl)-3,5-dichlorobenzamide is O=C(NCCCCCBr)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(5-bromopentyl)-3,5-dichlorobenzamide?
The InChIKey is CEUJDPLAHWWNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c13-4-2-1-3-5-16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,1-5H2,(H,16,17).
What are the key properties of N-(5-bromopentyl)-3,5-dichlorobenzamide?
N-(5-bromopentyl)-3,5-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)-3,5-dichlorobenzamide is sourced from PubChem (CID 107322072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).