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

C19H21ClFN3O2 — CID 18082342

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFN3O2/c1-23-8-10-24(11-9-23)18-7-2-14(20)12-17(18)22-19(25)13-26-16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyAMCNMEBBVCFYCV-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.25
Rot. Bonds5

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

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 18082342) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
PubChem CID18082342
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21ClFN3O2/c1-23-8-10-24(11-9-23)18-7-2-14(20)12-17(18)22-19(25)13-26-16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)
InChIKeyAMCNMEBBVCFYCV-UHFFFAOYSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 18084207
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 35357364
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 2670259
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenoxy)acetamide
CID 17092284
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-propoxyphenoxy)acetamide
CID 55359272
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-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide
CID 60554347
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-cyanophenoxy)acetamide
CID 2526017
2-(4-fluorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18082370

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide (CID 18082342) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide is CN1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is AMCNMEBBVCFYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-23-8-10-24(11-9-23)18-7-2-14(20)12-17(18)22-19(25)13-26-16-5-3-15(21)4-6-16/h2-7,12H,8-11,13H2,1H3,(H,22,25).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 377.85 g/mol, XLogP of 3.25, 5 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-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 18082342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).