2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide

C20H24ClN3O2 — CID 110668062

IUPAC2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCOc1ccc(N2CCN(C)CC2)cc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O2/c1-23-8-10-24(11-9-23)17-6-7-19(26-2)18(14-17)22-20(25)13-15-4-3-5-16(21)12-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,25)
InChIKeyKBSZYEKQJYIOGD-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.28
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 110668062) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID110668062
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCOc1ccc(N2CCN(C)CC2)cc1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O2/c1-23-8-10-24(11-9-23)17-6-7-19(26-2)18(14-17)22-20(25)13-15-4-3-5-16(21)12-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,25)
InChIKeyKBSZYEKQJYIOGD-UHFFFAOYSA-N
XLogP3.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110668031
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
N-(5-chloro-2-methoxyphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008899
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)acetamide
CID 110778435
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862
2-(4-chlorophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 17484787
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806049
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxy-5-piperidin-1-ylphenyl)acetamide
CID 110613161
4-(5-chloro-2-methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 16803555
1-(3-chloro-4-methoxyphenyl)-4-(3-chlorophenyl)piperazine
CID 110452715
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 110668062) is 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide is COc1ccc(N2CCN(C)CC2)cc1NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is KBSZYEKQJYIOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-23-8-10-24(11-9-23)17-6-7-19(26-2)18(14-17)22-20(25)13-15-4-3-5-16(21)12-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 373.88 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 110668062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).