2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide

C15H22FN3O2 — CID 56826679

IUPAC2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCOCC(=O)Nc1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C15H22FN3O2/c1-3-21-11-15(20)17-13-10-12(16)4-5-14(13)19-8-6-18(2)7-9-19/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyUAFNUGHSFBAWHV-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.55
Rot. Bonds5

About 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 56826679) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID56826679
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCCOCC(=O)Nc1cc(F)ccc1N1CCN(C)CC1
InChIInChI=1S/C15H22FN3O2/c1-3-21-11-15(20)17-13-10-12(16)4-5-14(13)19-8-6-18(2)7-9-19/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyUAFNUGHSFBAWHV-UHFFFAOYSA-N
XLogP1.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
3-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-1-(2-methoxyethyl)-1-methylurea
CID 56827083
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-3-(2-pyrrol-1-ylethyl)urea
CID 75377712
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 698325
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(2-fluorophenoxy)butanamide
CID 60554347
methyl 3-(hexanoylamino)-4-(4-methylpiperazin-1-yl)benzoate
CID 17099072
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 2670259
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 91675905

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 56826679) is 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide is CCOCC(=O)Nc1cc(F)ccc1N1CCN(C)CC1.
What is the InChIKey of 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is UAFNUGHSFBAWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-3-21-11-15(20)17-13-10-12(16)4-5-14(13)19-8-6-18(2)7-9-19/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 56826679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).