N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C17H18ClFN4O — CID 711119

IUPACN-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccnc1Cl
InChIInChI=1S/C17H18ClFN4O/c18-17-15(2-1-7-20-17)21-16(24)12-22-8-10-23(11-9-22)14-5-3-13(19)4-6-14/h1-7H,8-12H2,(H,21,24)
InChIKeyQJRMUTGFWIZURE-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.63
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 711119) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID711119
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccnc1Cl
InChIInChI=1S/C17H18ClFN4O/c18-17-15(2-1-7-20-17)21-16(24)12-22-8-10-23(11-9-22)14-5-3-13(19)4-6-14/h1-7H,8-12H2,(H,21,24)
InChIKeyQJRMUTGFWIZURE-UHFFFAOYSA-N
XLogP2.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 711119) is N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is QJRMUTGFWIZURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-17-15(2-1-7-20-17)21-16(24)12-22-8-10-23(11-9-22)14-5-3-13(19)4-6-14/h1-7H,8-12H2,(H,21,24).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 348.81 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 711119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).