N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide

C18H18ClFN4O2 — CID 55861764

IUPACN-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN4O2/c19-15-2-1-3-16(22-15)23-8-10-24(11-9-23)17(25)12-21-18(26)13-4-6-14(20)7-5-13/h1-7H,8-12H2,(H,21,26)
InChIKeyTZZRQKILRRRSDX-UHFFFAOYSA-N
MW376.82 g/mol
LogP1.95
Rot. Bonds4

About N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide

N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide (PubChem CID 55861764) has the molecular formula C18H18ClFN4O2 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide
PubChem CID55861764
Molecular FormulaC18H18ClFN4O2
Molecular Weight376.82 g/mol
Exact Mass376.11
IUPAC NameN-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18ClFN4O2/c19-15-2-1-3-16(22-15)23-8-10-24(11-9-23)17(25)12-21-18(26)13-4-6-14(20)7-5-13/h1-7H,8-12H2,(H,21,26)
InChIKeyTZZRQKILRRRSDX-UHFFFAOYSA-N
XLogP1.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 51.95
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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Related Compounds

4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 60526232
4-fluoro-N-[2-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 56654151
N-[2-[4-(difluoromethylidene)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzamide
CID 126829414
4-tert-butyl-N-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 108764072
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]ethyl]-1,1-bis(4-fluorophenyl)methanimine
CID 18348695

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide (CID 55861764) is N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide is O=C(NCC(=O)N1CCN(c2cccc(Cl)n2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is TZZRQKILRRRSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O2/c19-15-2-1-3-16(22-15)23-8-10-24(11-9-23)17(25)12-21-18(26)13-4-6-14(20)7-5-13/h1-7H,8-12H2,(H,21,26).
What are the key properties of N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide?
N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 376.82 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 55861764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).