3-chloro-N-(5-chloropentyl)-4-methylbenzamide

C13H17Cl2NO — CID 107321227

IUPAC3-chloro-N-(5-chloropentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-10-5-6-11(9-12(10)15)13(17)16-8-4-2-3-7-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyMIWRITOKJSIUKM-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.79
Rot. Bonds6

About 3-chloro-N-(5-chloropentyl)-4-methylbenzamide

3-chloro-N-(5-chloropentyl)-4-methylbenzamide (PubChem CID 107321227) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-chloro-N-(5-chloropentyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloropentyl)-4-methylbenzamide
PubChem CID107321227
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-chloro-N-(5-chloropentyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-10-5-6-11(9-12(10)15)13(17)16-8-4-2-3-7-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyMIWRITOKJSIUKM-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.79
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

3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915
6-[(3-chloro-4-methylbenzoyl)amino]hexanoic acid
CID 55161013
N-(4-chlorobutyl)-4-fluoro-3-methylbenzamide
CID 106845201
3-[(3-chloro-4-methylbenzoyl)amino]propyl-dimethylazanium
CID 2261401
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
3-chloro-N-(5-chloropentan-2-yl)-4-methylbenzamide
CID 114305932
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
N-(4-chlorobutyl)-4-ethylbenzamide
CID 106845476
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloropentyl)-4-methylbenzamide?
The IUPAC name of 3-chloro-N-(5-chloropentyl)-4-methylbenzamide (CID 107321227) is 3-chloro-N-(5-chloropentyl)-4-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(5-chloropentyl)-4-methylbenzamide?
The canonical SMILES for 3-chloro-N-(5-chloropentyl)-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCCl)cc1Cl.
What is the InChIKey of 3-chloro-N-(5-chloropentyl)-4-methylbenzamide?
The InChIKey is MIWRITOKJSIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-10-5-6-11(9-12(10)15)13(17)16-8-4-2-3-7-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(5-chloropentyl)-4-methylbenzamide?
3-chloro-N-(5-chloropentyl)-4-methylbenzamide has a molecular weight of 274.19 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloropentyl)-4-methylbenzamide is sourced from PubChem (CID 107321227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).