4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide

C26H19Cl2N3O2 — CID 52942245

IUPAC4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C26H19Cl2N3O2/c27-22-12-10-19(15-21(22)24-8-4-5-13-29-24)31-26(33)20-11-9-18(14-23(20)28)25(32)30-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,30,32)(H,31,33)
InChIKeyGDJXBXGSWMTDPV-UHFFFAOYSA-N
MW476.36 g/mol
LogP6.24
Rot. Bonds6

About 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide

4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 52942245) has the molecular formula C26H19Cl2N3O2 and a molecular weight of 476.36 g/mol. Its IUPAC name is 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID52942245
Molecular FormulaC26H19Cl2N3O2
Molecular Weight476.36 g/mol
Exact Mass475.09
IUPAC Name4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C26H19Cl2N3O2/c27-22-12-10-19(15-21(22)24-8-4-5-13-29-24)31-26(33)20-11-9-18(14-23(20)28)25(32)30-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,30,32)(H,31,33)
InChIKeyGDJXBXGSWMTDPV-UHFFFAOYSA-N
XLogP6.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.36
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide (CID 52942245) is 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide is O=C(NCc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is GDJXBXGSWMTDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O2/c27-22-12-10-19(15-21(22)24-8-4-5-13-29-24)31-26(33)20-11-9-18(14-23(20)28)25(32)30-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,30,32)(H,31,33).
What are the key properties of 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide?
4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 476.36 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 52942245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).