2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide

C17H18Cl2N2O — CID 27746785

IUPAC2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-21(14-6-3-2-4-7-14)11-5-10-20-17(22)15-9-8-13(18)12-16(15)19/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22)
InChIKeyCGZKJWDRMXLCKI-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.25
Rot. Bonds6

About 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide

2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 27746785) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID27746785
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O/c1-21(14-6-3-2-4-7-14)11-5-10-20-17(22)15-9-8-13(18)12-16(15)19/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22)
InChIKeyCGZKJWDRMXLCKI-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 99835968
2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
CID 27746858
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949
2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
CID 42706752
2,4-dichloro-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287713
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
N-[2-(N-benzoylanilino)ethyl]-2,4-dichlorobenzamide
CID 42704589
2-chloro-N-[2-[3-(N-methylanilino)propylcarbamoyl]phenyl]-4-nitrobenzamide
CID 29239514
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide (CID 27746785) is 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is CGZKJWDRMXLCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-21(14-6-3-2-4-7-14)11-5-10-20-17(22)15-9-8-13(18)12-16(15)19/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,22).
What are the key properties of 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide?
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 337.25 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 27746785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).