2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide

C25H24Cl2N4O2 — CID 58614677

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide
SMILESCC1CN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC(C)N1
InChIInChI=1S/C25H24Cl2N4O2/c1-15-13-31(14-16(2)29-15)25(33)17-6-8-19(22(27)11-17)24(32)30-18-7-9-21(26)20(12-18)23-5-3-4-10-28-23/h3-12,15-16,29H,13-14H2,1-2H3,(H,30,32)
InChIKeyIBCIJKHGEFLTNI-UHFFFAOYSA-N
MW483.40 g/mol
LogP5.13
Rot. Bonds4

About 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide (PubChem CID 58614677) has the molecular formula C25H24Cl2N4O2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide
PubChem CID58614677
Molecular FormulaC25H24Cl2N4O2
Molecular Weight483.40 g/mol
Exact Mass482.13
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide
SMILESCC1CN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC(C)N1
InChIInChI=1S/C25H24Cl2N4O2/c1-15-13-31(14-16(2)29-15)25(33)17-6-8-19(22(27)11-17)24(32)30-18-7-9-21(26)20(12-18)23-5-3-4-10-28-23/h3-12,15-16,29H,13-14H2,1-2H3,(H,30,32)
InChIKeyIBCIJKHGEFLTNI-UHFFFAOYSA-N
XLogP5.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.40
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide (CID 58614677) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide is CC1CN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC(C)N1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide?
The InChIKey is IBCIJKHGEFLTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2/c1-15-13-31(14-16(2)29-15)25(33)17-6-8-19(22(27)11-17)24(32)30-18-7-9-21(26)20(12-18)23-5-3-4-10-28-23/h3-12,15-16,29H,13-14H2,1-2H3,(H,30,32).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide has a molecular weight of 483.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(3,5-dimethylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 58614677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).