2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride

C20H23Cl2N3O2 — CID 119400258

IUPAC2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NC(CC(=O)N1CCNCC1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c21-17-9-5-4-8-16(17)20(26)23-18(15-6-2-1-3-7-15)14-19(25)24-12-10-22-11-13-24;/h1-9,18,22H,10-14H2,(H,23,26);1H
InChIKeyARHIGIXWHXMSNK-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.05
Rot. Bonds5

About 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride

2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119400258) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119400258
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCl.O=C(NC(CC(=O)N1CCNCC1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2.ClH/c21-17-9-5-4-8-16(17)20(26)23-18(15-6-2-1-3-7-15)14-19(25)24-12-10-22-11-13-24;/h1-9,18,22H,10-14H2,(H,23,26);1H
InChIKeyARHIGIXWHXMSNK-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
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CID 78800152
2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 55584115
2-chloro-N-[(1S)-3-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 95767762
N-[3-(1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119418150
2-chloro-N-[3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55720710
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 2115437
2-chloro-N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55539180
N-[(1R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 51534256
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119400258) is 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride is Cl.O=C(NC(CC(=O)N1CCNCC1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is ARHIGIXWHXMSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2.ClH/c21-17-9-5-4-8-16(17)20(26)23-18(15-6-2-1-3-7-15)14-19(25)24-12-10-22-11-13-24;/h1-9,18,22H,10-14H2,(H,23,26);1H.
What are the key properties of 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride?
2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 408.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119400258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).