3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide

C20H24ClN3O2 — CID 7340704

IUPAC3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-3-23-10-12-24(13-11-23)17-7-5-16(6-8-17)22-20(25)15-4-9-19(26-2)18(21)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyDSLAAQLFYGTBLI-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.74
Rot. Bonds5

About 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide

3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide (PubChem CID 7340704) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
PubChem CID7340704
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
SMILESCCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CC1
InChIInChI=1S/C20H24ClN3O2/c1-3-23-10-12-24(13-11-23)17-7-5-16(6-8-17)22-20(25)15-4-9-19(26-2)18(21)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25)
InChIKeyDSLAAQLFYGTBLI-UHFFFAOYSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 3715859
3-chloro-4-methoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6964895
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 17388057
3-bromo-N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-methoxybenzamide
CID 21216627
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
CID 110288135
N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-chloro-4-methoxybenzamide
CID 5177132
N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 3837739
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-fluoro-4-methoxybenzamide
CID 86982054
3-chloro-4-methoxy-N-(4-methylphenyl)benzamide
CID 2976183
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 1090054
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide (CID 7340704) is 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide is CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc2)CC1.
What is the InChIKey of 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
The InChIKey is DSLAAQLFYGTBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-23-10-12-24(13-11-23)17-7-5-16(6-8-17)22-20(25)15-4-9-19(26-2)18(21)14-15/h4-9,14H,3,10-13H2,1-2H3,(H,22,25).
What are the key properties of 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide?
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide has a molecular weight of 373.88 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 7340704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).