5-bromo-N-(5-chloropentyl)-2-methylbenzamide

C13H17BrClNO — CID 107321142

IUPAC5-bromo-N-(5-chloropentyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCCCCCCl
InChIInChI=1S/C13H17BrClNO/c1-10-5-6-11(14)9-12(10)13(17)16-8-4-2-3-7-15/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyISODIAVXCVBANA-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.90
Rot. Bonds6

About 5-bromo-N-(5-chloropentyl)-2-methylbenzamide

5-bromo-N-(5-chloropentyl)-2-methylbenzamide (PubChem CID 107321142) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 5-bromo-N-(5-chloropentyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-chloropentyl)-2-methylbenzamide
PubChem CID107321142
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name5-bromo-N-(5-chloropentyl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)NCCCCCCl
InChIInChI=1S/C13H17BrClNO/c1-10-5-6-11(14)9-12(10)13(17)16-8-4-2-3-7-15/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyISODIAVXCVBANA-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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

5-bromo-N-(4-chlorobutyl)-2-hydroxybenzamide
CID 107730547
5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920100
5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
5-bromo-N-(4-cyanobutyl)-2-methylbenzamide
CID 65307660
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
4-bromo-N-(2-chloroethyl)-2-methylbenzamide
CID 61287065
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 115364480
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-chloropentyl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(5-chloropentyl)-2-methylbenzamide (CID 107321142) is 5-bromo-N-(5-chloropentyl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(5-chloropentyl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(5-chloropentyl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)NCCCCCCl.
What is the InChIKey of 5-bromo-N-(5-chloropentyl)-2-methylbenzamide?
The InChIKey is ISODIAVXCVBANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-10-5-6-11(14)9-12(10)13(17)16-8-4-2-3-7-15/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-(5-chloropentyl)-2-methylbenzamide?
5-bromo-N-(5-chloropentyl)-2-methylbenzamide has a molecular weight of 318.64 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-chloropentyl)-2-methylbenzamide is sourced from PubChem (CID 107321142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).