N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide

C20H24ClN3O2 — CID 53432970

IUPACN-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide
SMILESCCOc1ccc(N(C=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-26-19-8-6-18(7-9-19)24(15-25)23-12-10-22(11-13-23)20-14-17(21)5-4-16(20)2/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyZDGNIXSJNWSLIR-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.75
Rot. Bonds6

About N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide

N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide (PubChem CID 53432970) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide.

Molecular Properties

Compound NameN-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide
PubChem CID53432970
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide
SMILESCCOc1ccc(N(C=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-26-19-8-6-18(7-9-19)24(15-25)23-12-10-22(11-13-23)20-14-17(21)5-4-16(20)2/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyZDGNIXSJNWSLIR-UHFFFAOYSA-N
XLogP3.75
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide?
The IUPAC name of N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide (CID 53432970) is N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide.
What is the SMILES notation for N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide?
The canonical SMILES for N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide is CCOc1ccc(N(C=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1.
What is the InChIKey of N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide?
The InChIKey is ZDGNIXSJNWSLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-26-19-8-6-18(7-9-19)24(15-25)23-12-10-22(11-13-23)20-14-17(21)5-4-16(20)2/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide?
N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide has a molecular weight of 373.88 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)formamide is sourced from PubChem (CID 53432970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).