N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride

C19H21Cl2N3O2 — CID 120739011

IUPACN-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCNCC1c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClN3O2.ClH/c20-16-9-5-4-8-15(16)17-12-21-10-11-23(17)18(24)13-22-19(25)14-6-2-1-3-7-14;/h1-9,17,21H,10-13H2,(H,22,25);1H
InChIKeySBQSBUHZIKNRMB-UHFFFAOYSA-N
MW394.30 g/mol
LogP2.66
Rot. Bonds4

About N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride

N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride (PubChem CID 120739011) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
PubChem CID120739011
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCNCC1c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClN3O2.ClH/c20-16-9-5-4-8-15(16)17-12-21-10-11-23(17)18(24)13-22-19(25)14-6-2-1-3-7-14;/h1-9,17,21H,10-13H2,(H,22,25);1H
InChIKeySBQSBUHZIKNRMB-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448
N-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120738732
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623
5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120739793
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
N-[[4-[2-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 120739195
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
N-[4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120739887
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one;hydrochloride
CID 120738248

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride (CID 120739011) is N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride is Cl.O=C(NCC(=O)N1CCNCC1c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is SBQSBUHZIKNRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2.ClH/c20-16-9-5-4-8-15(16)17-12-21-10-11-23(17)18(24)13-22-19(25)14-6-2-1-3-7-14;/h1-9,17,21H,10-13H2,(H,22,25);1H.
What are the key properties of N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride?
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 394.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 120739011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).