1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide

C22H20ClN3O2 — CID 109055552

IUPAC1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C22H20ClN3O2/c1-26(13-10-16-8-11-24-12-9-16)22(28)18-5-2-4-17(14-18)21(27)25-20-7-3-6-19(23)15-20/h2-9,11-12,14-15H,10,13H2,1H3,(H,25,27)
InChIKeyAEXKGILKNAOXFT-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.30
Rot. Bonds6

About 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide

1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide (PubChem CID 109055552) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
PubChem CID109055552
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C22H20ClN3O2/c1-26(13-10-16-8-11-24-12-9-16)22(28)18-5-2-4-17(14-18)21(27)25-20-7-3-6-19(23)15-20/h2-9,11-12,14-15H,10,13H2,1H3,(H,25,27)
InChIKeyAEXKGILKNAOXFT-UHFFFAOYSA-N
XLogP4.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide with MolForge

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Related Compounds

2-N-(3-chlorophenyl)-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098702
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
1-N-cyclopropyl-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109050711
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989264
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983148
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide (CID 109055552) is 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide is CN(CCc1ccncc1)C(=O)c1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
The InChIKey is AEXKGILKNAOXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-26(13-10-16-8-11-24-12-9-16)22(28)18-5-2-4-17(14-18)21(27)25-20-7-3-6-19(23)15-20/h2-9,11-12,14-15H,10,13H2,1H3,(H,25,27).
What are the key properties of 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide?
1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).