3-chloro-N-(2-chloropropyl)-5-methylbenzamide

C11H13Cl2NO — CID 114296400

IUPAC3-chloro-N-(2-chloropropyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCC(C)Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-7-3-9(5-10(13)4-7)11(15)14-6-8(2)12/h3-5,8H,6H2,1-2H3,(H,14,15)
InChIKeyFFCKYBZESRPIJI-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.01
Rot. Bonds3

About 3-chloro-N-(2-chloropropyl)-5-methylbenzamide

3-chloro-N-(2-chloropropyl)-5-methylbenzamide (PubChem CID 114296400) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-chloro-N-(2-chloropropyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloropropyl)-5-methylbenzamide
PubChem CID114296400
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name3-chloro-N-(2-chloropropyl)-5-methylbenzamide
SMILESCc1cc(Cl)cc(C(=O)NCC(C)Cl)c1
InChIInChI=1S/C11H13Cl2NO/c1-7-3-9(5-10(13)4-7)11(15)14-6-8(2)12/h3-5,8H,6H2,1-2H3,(H,14,15)
InChIKeyFFCKYBZESRPIJI-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 81002624
3-chloro-N-(2-cyclopropyl-2-hydroxyethyl)-5-methylbenzamide
CID 81323274
3-chloro-5-methyl-N-(2-oxopropyl)benzamide
CID 81323572
N-(2-bromo-2-cyclopropylethyl)-3-chloro-5-methylbenzamide
CID 114315780
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-chloro-5-methylbenzamide
CID 81314836
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
N-(5-bromopentyl)-3-chloro-5-methylbenzamide
CID 107321722
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
N-(3-amino-2-methylpropyl)-3,5-dichlorobenzamide;hydrochloride
CID 119996487

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloropropyl)-5-methylbenzamide?
The IUPAC name of 3-chloro-N-(2-chloropropyl)-5-methylbenzamide (CID 114296400) is 3-chloro-N-(2-chloropropyl)-5-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloropropyl)-5-methylbenzamide?
The canonical SMILES for 3-chloro-N-(2-chloropropyl)-5-methylbenzamide is Cc1cc(Cl)cc(C(=O)NCC(C)Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloropropyl)-5-methylbenzamide?
The InChIKey is FFCKYBZESRPIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-7-3-9(5-10(13)4-7)11(15)14-6-8(2)12/h3-5,8H,6H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-N-(2-chloropropyl)-5-methylbenzamide?
3-chloro-N-(2-chloropropyl)-5-methylbenzamide has a molecular weight of 246.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloropropyl)-5-methylbenzamide is sourced from PubChem (CID 114296400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).