N-(5-bromopentyl)-3-chloro-5-methylbenzamide

C13H17BrClNO — CID 107321722

IUPACN-(5-bromopentyl)-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCCCCBr)c1
InChIInChI=1S/C13H17BrClNO/c1-10-7-11(9-12(15)8-10)13(17)16-6-4-2-3-5-14/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyPENMBZHSVBQWMK-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.94
Rot. Bonds6

About N-(5-bromopentyl)-3-chloro-5-methylbenzamide

N-(5-bromopentyl)-3-chloro-5-methylbenzamide (PubChem CID 107321722) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is N-(5-bromopentyl)-3-chloro-5-methylbenzamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-3-chloro-5-methylbenzamide
PubChem CID107321722
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC NameN-(5-bromopentyl)-3-chloro-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCCCCCBr)c1
InChIInChI=1S/C13H17BrClNO/c1-10-7-11(9-12(15)8-10)13(17)16-6-4-2-3-5-14/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyPENMBZHSVBQWMK-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.94
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)-3,5-dichlorobenzamide
CID 107322072
3-bromo-N-(4-bromobutyl)-5-methylbenzamide
CID 106845608
ethyl 4-[(3-chloro-5-methylbenzoyl)amino]butanoate
CID 80980209
3-chloro-N-(5-hydroxy-4-methylpentyl)-5-methylbenzamide
CID 113340834
5-[(3-chloro-5-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440696
N-but-3-ynyl-3-chloro-5-methylbenzamide
CID 81002293
3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572
N-(6-iodohexyl)-3,5-dimethylbenzamide
CID 107848408
3-bromo-5-methyl-N-octylbenzamide
CID 104852918
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-3-chloro-5-methylbenzamide?
The IUPAC name of N-(5-bromopentyl)-3-chloro-5-methylbenzamide (CID 107321722) is N-(5-bromopentyl)-3-chloro-5-methylbenzamide.
What is the SMILES notation for N-(5-bromopentyl)-3-chloro-5-methylbenzamide?
The canonical SMILES for N-(5-bromopentyl)-3-chloro-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCCCCCBr)c1.
What is the InChIKey of N-(5-bromopentyl)-3-chloro-5-methylbenzamide?
The InChIKey is PENMBZHSVBQWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-10-7-11(9-12(15)8-10)13(17)16-6-4-2-3-5-14/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(5-bromopentyl)-3-chloro-5-methylbenzamide?
N-(5-bromopentyl)-3-chloro-5-methylbenzamide has a molecular weight of 318.64 g/mol, XLogP of 3.94, 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-chloro-5-methylbenzamide is sourced from PubChem (CID 107321722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).