N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide

C21H23ClN4O3 — CID 2883239

IUPACN-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide
SMILESO=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H23ClN4O3/c22-18-9-5-4-8-17(18)21(29)26-14-12-25(13-15-26)11-10-23-19(27)20(28)24-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,27)(H,24,28)
InChIKeyUAPQXJBUYTVZJD-UHFFFAOYSA-N
MW414.89 g/mol
LogP1.85
Rot. Bonds5

About N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide

N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide (PubChem CID 2883239) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide.

Molecular Properties

Compound NameN-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide
PubChem CID2883239
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide
SMILESO=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H23ClN4O3/c22-18-9-5-4-8-17(18)21(29)26-14-12-25(13-15-26)11-10-23-19(27)20(28)24-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,27)(H,24,28)
InChIKeyUAPQXJBUYTVZJD-UHFFFAOYSA-N
XLogP1.85
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromophenyl)-N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]oxamide
CID 3720505
N'-(4-bromophenyl)-N-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
CID 5038681
4-(2-chlorobenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110811610
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(2-chlorophenyl)methanone
CID 80666247
2-bromo-N-[2-[4-(2-bromobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 4197807
3-[4-(2-methylbenzoyl)piperazin-1-yl]-N-phenylpropanamide
CID 110645616
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
N'-(3-chlorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269136
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46295281

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide?
The IUPAC name of N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide (CID 2883239) is N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide.
What is the SMILES notation for N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide?
The canonical SMILES for N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide is O=C(NCCN1CCN(C(=O)c2ccccc2Cl)CC1)C(=O)Nc1ccccc1.
What is the InChIKey of N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide?
The InChIKey is UAPQXJBUYTVZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c22-18-9-5-4-8-17(18)21(29)26-14-12-25(13-15-26)11-10-23-19(27)20(28)24-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide?
N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide has a molecular weight of 414.89 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-N'-phenyloxamide is sourced from PubChem (CID 2883239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).