2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide

C21H26ClN3O2 — CID 4673865

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-21(26)15-27-20-9-4-17(22)14-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)
InChIKeyOJQNUUUFAFZMMQ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.81
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide (PubChem CID 4673865) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
PubChem CID4673865
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-21(26)15-27-20-9-4-17(22)14-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)
InChIKeyOJQNUUUFAFZMMQ-UHFFFAOYSA-N
XLogP3.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.81
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

Bx 471
CID 5311124
BX-471 free base
CID 512282
N-[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 9954423
1-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)-3-(2-aminoethyl)urea
CID 12112109
2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 1395053
N-[4-(4-Methanesulfonyl-piperazin-1-yl)-phenyl]-2-o-tolyloxy-acetamide
CID 655939
N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 2287410
2-(2,5-dimethylphenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 729609
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
2-(4-chlorophenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 4800881
2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4880796
2-(4-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 5178598

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide (CID 4673865) is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide is CCN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is OJQNUUUFAFZMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-21(26)15-27-20-9-4-17(22)14-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 4673865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).