2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide

C17H22Cl2N4O2 — CID 46663083

IUPAC2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H22Cl2N4O2/c1-2-5-20-16(24)11-22-6-8-23(9-7-22)12-17(25)21-15-10-13(18)3-4-14(15)19/h2-4,10H,1,5-9,11-12H2,(H,20,24)(H,21,25)
InChIKeyYAZSMLAXXVCSHV-UHFFFAOYSA-N
MW385.30 g/mol
LogP1.85
Rot. Bonds7

About 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 46663083) has the molecular formula C17H22Cl2N4O2 and a molecular weight of 385.30 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID46663083
Molecular FormulaC17H22Cl2N4O2
Molecular Weight385.30 g/mol
Exact Mass384.11
IUPAC Name2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H22Cl2N4O2/c1-2-5-20-16(24)11-22-6-8-23(9-7-22)12-17(25)21-15-10-13(18)3-4-14(15)19/h2-4,10H,1,5-9,11-12H2,(H,20,24)(H,21,25)
InChIKeyYAZSMLAXXVCSHV-UHFFFAOYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dichlorophenyl)-N-prop-2-enylpropanediamide
CID 108941338
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
N-(2,5-dichlorophenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 172904520
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 7949022
N-(2,5-dichlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 2120382
2-(4-cyanopiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 48940747
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433
N-(2,5-dichlorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257466
N-(2,5-dichlorophenyl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 6457048
methyl 3,5-dichloro-2-[[2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetyl]amino]benzoate
CID 30599791
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 60972401

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 46663083) is 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is YAZSMLAXXVCSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O2/c1-2-5-20-16(24)11-22-6-8-23(9-7-22)12-17(25)21-15-10-13(18)3-4-14(15)19/h2-4,10H,1,5-9,11-12H2,(H,20,24)(H,21,25).
What are the key properties of 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 385.30 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 46663083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).