N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide

C21H22Cl2N4O3 — CID 34432708

IUPACN-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESO=C(CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C21H22Cl2N4O3/c22-17-7-6-15(12-18(17)23)21(30)24-13-20(29)27-10-8-26(9-11-27)14-19(28)25-16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,24,30)(H,25,28)
InChIKeyQHASHOGBPKFWHJ-UHFFFAOYSA-N
MW449.34 g/mol
LogP2.51
Rot. Bonds6

About N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide

N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide (PubChem CID 34432708) has the molecular formula C21H22Cl2N4O3 and a molecular weight of 449.34 g/mol. Its IUPAC name is N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
PubChem CID34432708
Molecular FormulaC21H22Cl2N4O3
Molecular Weight449.34 g/mol
Exact Mass448.11
IUPAC NameN-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESO=C(CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1
InChIInChI=1S/C21H22Cl2N4O3/c22-17-7-6-15(12-18(17)23)21(30)24-13-20(29)27-10-8-26(9-11-27)14-19(28)25-16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,24,30)(H,25,28)
InChIKeyQHASHOGBPKFWHJ-UHFFFAOYSA-N
XLogP2.51
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 78803732
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106254
N-phenyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 34432596
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 34432845
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149355
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
3,4-dichloro-N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]benzamide
CID 86846006

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide (CID 34432708) is N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide is O=C(CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1.
What is the InChIKey of N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
The InChIKey is QHASHOGBPKFWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O3/c22-17-7-6-15(12-18(17)23)21(30)24-13-20(29)27-10-8-26(9-11-27)14-19(28)25-16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,24,30)(H,25,28).
What are the key properties of N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide?
N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide has a molecular weight of 449.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 34432708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).