4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide

C17H19Cl2N5O2 — CID 141459382

IUPAC4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N5O2/c18-13-3-1-12(2-4-13)17(26)20-10-16(25)24-7-5-23(6-8-24)15-9-14(19)21-11-22-15/h1-4,9,11,16,25H,5-8,10H2,(H,20,26)
InChIKeyOZEMSJRNFRYZMA-UHFFFAOYSA-N
MW396.28 g/mol
LogP1.65
Rot. Bonds5

About 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide

4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide (PubChem CID 141459382) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide
PubChem CID141459382
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC Name4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N5O2/c18-13-3-1-12(2-4-13)17(26)20-10-16(25)24-7-5-23(6-8-24)15-9-14(19)21-11-22-15/h1-4,9,11,16,25H,5-8,10H2,(H,20,26)
InChIKeyOZEMSJRNFRYZMA-UHFFFAOYSA-N
XLogP1.65
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide (CID 141459382) is 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide is O=C(NCC(O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide?
The InChIKey is OZEMSJRNFRYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c18-13-3-1-12(2-4-13)17(26)20-10-16(25)24-7-5-23(6-8-24)15-9-14(19)21-11-22-15/h1-4,9,11,16,25H,5-8,10H2,(H,20,26).
What are the key properties of 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide?
4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide has a molecular weight of 396.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide is sourced from PubChem (CID 141459382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).