N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide

C23H27ClN4O2 — CID 8800095

IUPACN-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide
SMILESC=CCN(C(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C23H27ClN4O2/c1-2-12-28(19-8-4-3-5-9-19)23(30)18-27-15-13-26(14-16-27)17-22(29)25-21-11-7-6-10-20(21)24/h2-11H,1,12-18H2,(H,25,29)
InChIKeyDJIJCUFAWVWHGZ-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.12
Rot. Bonds8

About N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide (PubChem CID 8800095) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide
PubChem CID8800095
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide
SMILESC=CCN(C(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C23H27ClN4O2/c1-2-12-28(19-8-4-3-5-9-19)23(30)18-27-15-13-26(14-16-27)17-22(29)25-21-11-7-6-10-20(21)24/h2-11H,1,12-18H2,(H,25,29)
InChIKeyDJIJCUFAWVWHGZ-UHFFFAOYSA-N
XLogP3.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide
CID 8694626
N-(2-chlorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 78795478
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 26628495
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
CID 8799927
N-(2-chlorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8800016

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide (CID 8800095) is N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide is C=CCN(C(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide?
The InChIKey is DJIJCUFAWVWHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-2-12-28(19-8-4-3-5-9-19)23(30)18-27-15-13-26(14-16-27)17-22(29)25-21-11-7-6-10-20(21)24/h2-11H,1,12-18H2,(H,25,29).
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide has a molecular weight of 426.95 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-oxo-2-(N-prop-2-enylanilino)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8800095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).