N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide

C21H26ClN3O2 — CID 7491964

IUPACN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-24-10-12-25(13-11-24)20-9-6-17(22)15-19(20)23-21(26)14-16-4-7-18(27-2)8-5-16/h4-9,15H,3,10-14H2,1-2H3,(H,23,26)
InChIKeyNOORUCPPVVRVTI-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.67
Rot. Bonds6

About N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 7491964) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID7491964
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-3-24-10-12-25(13-11-24)20-9-6-17(22)15-19(20)23-21(26)14-16-4-7-18(27-2)8-5-16/h4-9,15H,3,10-14H2,1-2H3,(H,23,26)
InChIKeyNOORUCPPVVRVTI-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535040
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-naphthalen-1-ylacetamide
CID 7535492
2-bromo-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-methoxybenzamide
CID 30862093
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17451721
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806049
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55669090
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
CID 17091526
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-4-phenylbutanamide
CID 55757427
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 26292366
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-methoxyphenoxy)acetamide
CID 17092281

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide (CID 7491964) is N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide is CCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(OC)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NOORUCPPVVRVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-24-10-12-25(13-11-24)20-9-6-17(22)15-19(20)23-21(26)14-16-4-7-18(27-2)8-5-16/h4-9,15H,3,10-14H2,1-2H3,(H,23,26).
What are the key properties of N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 387.91 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 7491964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).