2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide

C14H17ClFN3O2 — CID 8904218

IUPAC2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H17ClFN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-11-2-3-13(16)12(15)8-11/h2-3,8H,4-7,9H2,1H3,(H,17,21)
InChIKeyLZQQHEIZPDVMSA-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.58
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 8904218) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID8904218
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H17ClFN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-11-2-3-13(16)12(15)8-11/h2-3,8H,4-7,9H2,1H3,(H,17,21)
InChIKeyLZQQHEIZPDVMSA-UHFFFAOYSA-N
XLogP1.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
N-(3-chloro-4-fluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 52683910
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 981650
1-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907508
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22195453
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(3-chloro-4-fluorophenyl)-2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166602128
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9276423
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
N-(3-chloro-4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146818

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide (CID 8904218) is 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is LZQQHEIZPDVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O2/c1-10(20)19-6-4-18(5-7-19)9-14(21)17-11-2-3-13(16)12(15)8-11/h2-3,8H,4-7,9H2,1H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 313.76 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 8904218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).