2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide

C26H28Cl2N4O2 — CID 67456409

IUPAC2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)CCCN(C(=O)c1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C26H28Cl2N4O2/c1-3-31(4-2)14-7-15-32(26(34)18-9-11-20(25(29)33)23(28)16-18)19-10-12-22(27)21(17-19)24-8-5-6-13-30-24/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3,(H2,29,33)
InChIKeyBWHYZXQXIMXPBX-UHFFFAOYSA-N
MW499.44 g/mol
LogP5.53
Rot. Bonds10

About 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide

2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide (PubChem CID 67456409) has the molecular formula C26H28Cl2N4O2 and a molecular weight of 499.44 g/mol. Its IUPAC name is 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
PubChem CID67456409
Molecular FormulaC26H28Cl2N4O2
Molecular Weight499.44 g/mol
Exact Mass498.16
IUPAC Name2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
SMILESCCN(CC)CCCN(C(=O)c1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C26H28Cl2N4O2/c1-3-31(4-2)14-7-15-32(26(34)18-9-11-20(25(29)33)23(28)16-18)19-10-12-22(27)21(17-19)24-8-5-6-13-30-24/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3,(H2,29,33)
InChIKeyBWHYZXQXIMXPBX-UHFFFAOYSA-N
XLogP5.53
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide 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

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 121363912
1-N-(2-anilinoethyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 154248419
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 171424806
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 150867908
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-N-methylbenzamide
CID 170123465
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfonyl)benzamide
CID 142777362
3-(4-chloro-3-pyridin-2-ylphenyl)-4-propylsulfonylbenzamide
CID 142777433
2-chloro-3-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 142777383
N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide
CID 142517457
1-(4-chloro-3-pyridin-2-ylphenyl)-2,2-dimethylpropan-1-one
CID 71105825
3-chloro-4-pyridin-2-ylbenzoic acid
CID 68948514
2-chloro-4-[3-(diethylamino)propyl-ethylamino]benzenecarbothioamide
CID 102993428

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide?
The IUPAC name of 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide (CID 67456409) is 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide is CCN(CC)CCCN(C(=O)c1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide?
The InChIKey is BWHYZXQXIMXPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O2/c1-3-31(4-2)14-7-15-32(26(34)18-9-11-20(25(29)33)23(28)16-18)19-10-12-22(27)21(17-19)24-8-5-6-13-30-24/h5-6,8-13,16-17H,3-4,7,14-15H2,1-2H3,(H2,29,33).
What are the key properties of 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide?
2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide has a molecular weight of 499.44 g/mol, XLogP of 5.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-[3-(diethylamino)propyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 67456409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).