2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide

C14H19Cl2N3O — CID 43443287

IUPAC2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O/c15-12-4-1-3-11(13(12)16)14(20)18-5-2-8-19-9-6-17-7-10-19/h1,3-4,17H,2,5-10H2,(H,18,20)
InChIKeyAEXAKVPIDOBADQ-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.02
Rot. Bonds5

About 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide

2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 43443287) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID43443287
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCNCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2N3O/c15-12-4-1-3-11(13(12)16)14(20)18-5-2-8-19-9-6-17-7-10-19/h1,3-4,17H,2,5-10H2,(H,18,20)
InChIKeyAEXAKVPIDOBADQ-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
2,5-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443285
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2-[(2-chlorophenyl)methoxy]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393698
2,6-dichloro-N-(2-piperazin-1-ylethyl)benzamide
CID 43422024
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43805782
N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 119391345
4-bromo-2-chloro-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119394241
2-chloro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119392237
2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
N-(3-piperazin-1-ylpropyl)-2-propan-2-ylsulfanylbenzamide
CID 119393290

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide (CID 43443287) is 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide is O=C(NCCCN1CCNCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is AEXAKVPIDOBADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c15-12-4-1-3-11(13(12)16)14(20)18-5-2-8-19-9-6-17-7-10-19/h1,3-4,17H,2,5-10H2,(H,18,20).
What are the key properties of 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide?
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 316.23 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 43443287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).