2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide

C20H23ClN3O3+ — CID 7126525

IUPAC2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
SMILESC[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O3/c1-23-10-12-24(13-11-23)20(26)17-4-2-3-5-18(17)22-19(25)14-27-16-8-6-15(21)7-9-16/h2-9H,10-14H2,1H3,(H,22,25)/p+1
InChIKeyCYRGINWVXSPJKH-UHFFFAOYSA-O
MW388.88 g/mol
LogP1.33
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide (PubChem CID 7126525) has the molecular formula C20H23ClN3O3+ and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
PubChem CID7126525
Molecular FormulaC20H23ClN3O3+
Molecular Weight388.88 g/mol
Exact Mass388.14
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide
SMILESC[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H22ClN3O3/c1-23-10-12-24(13-11-23)20(26)17-4-2-3-5-18(17)22-19(25)14-27-16-8-6-15(21)7-9-16/h2-9H,10-14H2,1H3,(H,22,25)/p+1
InChIKeyCYRGINWVXSPJKH-UHFFFAOYSA-O
XLogP1.33
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
2-(3,5-dimethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932401
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 21367678
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4936008

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide (CID 7126525) is 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide is C[NH+]1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide?
The InChIKey is CYRGINWVXSPJKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22ClN3O3/c1-23-10-12-24(13-11-23)20(26)17-4-2-3-5-18(17)22-19(25)14-27-16-8-6-15(21)7-9-16/h2-9H,10-14H2,1H3,(H,22,25)/p+1.
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide has a molecular weight of 388.88 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 7126525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).