2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide

C18H20Cl2N4O2 — CID 131902059

IUPAC2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N4O2/c19-14-2-1-5-22-18(14)24-8-6-23(7-9-24)11-13-3-4-16(15(20)10-13)26-12-17(21)25/h1-5,10H,6-9,11-12H2,(H2,21,25)
InChIKeyVOHDBBOLZVBZBW-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.57
Rot. Bonds6

About 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide

2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide (PubChem CID 131902059) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide
PubChem CID131902059
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1Cl
InChIInChI=1S/C18H20Cl2N4O2/c19-14-2-1-5-22-18(14)24-8-6-23(7-9-24)11-13-3-4-16(15(20)10-13)26-12-17(21)25/h1-5,10H,6-9,11-12H2,(H2,21,25)
InChIKeyVOHDBBOLZVBZBW-UHFFFAOYSA-N
XLogP2.57
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide (CID 131902059) is 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CN2CCN(c3ncccc3Cl)CC2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is VOHDBBOLZVBZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c19-14-2-1-5-22-18(14)24-8-6-23(7-9-24)11-13-3-4-16(15(20)10-13)26-12-17(21)25/h1-5,10H,6-9,11-12H2,(H2,21,25).
What are the key properties of 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide?
2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 395.29 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 131902059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).