N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide

C19H21ClN4O4 — CID 18084207

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H21ClN4O4/c1-22-8-10-23(11-9-22)18-7-2-14(20)12-17(18)21-19(25)13-28-16-5-3-15(4-6-16)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyOFTKPUJDUJARIV-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.02
Rot. Bonds6

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 18084207) has the molecular formula C19H21ClN4O4 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID18084207
Molecular FormulaC19H21ClN4O4
Molecular Weight404.85 g/mol
Exact Mass404.13
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H21ClN4O4/c1-22-8-10-23(11-9-22)18-7-2-14(20)12-17(18)21-19(25)13-28-16-5-3-15(4-6-16)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyOFTKPUJDUJARIV-UHFFFAOYSA-N
XLogP3.02
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 2670259
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-cyanophenoxy)acetamide
CID 2526017
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 17092284
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 91675905
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-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide (CID 18084207) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide is CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is OFTKPUJDUJARIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O4/c1-22-8-10-23(11-9-22)18-7-2-14(20)12-17(18)21-19(25)13-28-16-5-3-15(4-6-16)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 404.85 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 18084207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).