N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide

C17H17Cl3N2O — CID 24825636

IUPACN-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl
InChIInChI=1S/C17H17Cl3N2O/c1-11-7-8-13(19)16(15(11)20)22-14-6-3-2-5-12(14)17(23)21-10-4-9-18/h2-3,5-8,22H,4,9-10H2,1H3,(H,21,23)
InChIKeyJMRUQNZCPMKHCP-UHFFFAOYSA-N
MW371.70 g/mol
LogP5.40
Rot. Bonds6

About N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide

N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide (PubChem CID 24825636) has the molecular formula C17H17Cl3N2O and a molecular weight of 371.70 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide
PubChem CID24825636
Molecular FormulaC17H17Cl3N2O
Molecular Weight371.70 g/mol
Exact Mass370.04
IUPAC NameN-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl
InChIInChI=1S/C17H17Cl3N2O/c1-11-7-8-13(19)16(15(11)20)22-14-6-3-2-5-12(14)17(23)21-10-4-9-18/h2-3,5-8,22H,4,9-10H2,1H3,(H,21,23)
InChIKeyJMRUQNZCPMKHCP-UHFFFAOYSA-N
XLogP5.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.70
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide?
The IUPAC name of N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide (CID 24825636) is N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide.
What is the SMILES notation for N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide?
The canonical SMILES for N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide is Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCCCl)c1Cl.
What is the InChIKey of N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide?
The InChIKey is JMRUQNZCPMKHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O/c1-11-7-8-13(19)16(15(11)20)22-14-6-3-2-5-12(14)17(23)21-10-4-9-18/h2-3,5-8,22H,4,9-10H2,1H3,(H,21,23).
What are the key properties of N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide?
N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide has a molecular weight of 371.70 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-(2,6-dichloro-3-methylanilino)benzamide is sourced from PubChem (CID 24825636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).