N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide

C19H22ClN3O2 — CID 2995302

IUPACN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)18-8-7-15(13-17(18)20)21-19(24)14-25-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeySBSKJQAIRJNTGA-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.11
Rot. Bonds5

About N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide

N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide (PubChem CID 2995302) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
PubChem CID2995302
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
SMILESCN1CCN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CC1
InChIInChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)18-8-7-15(13-17(18)20)21-19(24)14-25-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24)
InChIKeySBSKJQAIRJNTGA-UHFFFAOYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.11
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

N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-methylphenoxy)acetamide
CID 17111823
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 2996154
[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 21212389
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 3944463
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-2-(3-methylphenoxy)acetamide
CID 4593742
N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-phenoxyacetamide
CID 17116085
2-(4-acetylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273423
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 1048171
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4593744
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 43039942

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide (CID 2995302) is N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide is CN1CCN(c2ccc(NC(=O)COc3ccccc3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is SBSKJQAIRJNTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-22-9-11-23(12-10-22)18-8-7-15(13-17(18)20)21-19(24)14-25-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,21,24).
What are the key properties of N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide?
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 359.86 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 2995302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).