3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide

C20H24ClN3O2 — CID 109053440

IUPAC3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C20H24ClN3O2/c1-14-17(21)9-5-10-18(14)23-20(26)16-8-4-7-15(13-16)19(25)22-11-6-12-24(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMJXYLFJFMMJXGU-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.58
Rot. Bonds7

About 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide

3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide (PubChem CID 109053440) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
PubChem CID109053440
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(C(=O)NCCCN(C)C)c1
InChIInChI=1S/C20H24ClN3O2/c1-14-17(21)9-5-10-18(14)23-20(26)16-8-4-7-15(13-16)19(25)22-11-6-12-24(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMJXYLFJFMMJXGU-UHFFFAOYSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-chloro-4,6-dimethylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109053445
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
1-N-[3-(dimethylamino)propyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109053413
1-N-butyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109051163
1-N'-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973822
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248
6-(3-chloro-2-methylanilino)-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366792
6-N-(2-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyridine-2,6-dicarboxamide
CID 109096585
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
1-N-butyl-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109051150
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
3-N-cyclopropyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109050681

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide (CID 109053440) is 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide is Cc1c(Cl)cccc1NC(=O)c1cccc(C(=O)NCCCN(C)C)c1.
What is the InChIKey of 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide?
The InChIKey is MJXYLFJFMMJXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-14-17(21)9-5-10-18(14)23-20(26)16-8-4-7-15(13-16)19(25)22-11-6-12-24(2)3/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide?
3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109053440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).