N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C21H25F2N5O2 — CID 112796553

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25F2N5O2/c1-2-27(14-19(29)25-21-16(22)6-5-7-17(21)23)20(30)15-26-10-12-28(13-11-26)18-8-3-4-9-24-18/h3-9H,2,10-15H2,1H3,(H,25,29)
InChIKeyLYTLXHHYSUJHBN-UHFFFAOYSA-N
MW417.46 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 112796553) has the molecular formula C21H25F2N5O2 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID112796553
Molecular FormulaC21H25F2N5O2
Molecular Weight417.46 g/mol
Exact Mass417.20
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25F2N5O2/c1-2-27(14-19(29)25-21-16(22)6-5-7-17(21)23)20(30)15-26-10-12-28(13-11-26)18-8-3-4-9-24-18/h3-9H,2,10-15H2,1H3,(H,25,29)
InChIKeyLYTLXHHYSUJHBN-UHFFFAOYSA-N
XLogP1.97
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide with MolForge

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Related Compounds

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8616542
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71866668
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylpropanamide
CID 119266607
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 90508038
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
N,N-diethyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 78788102
N-(2,6-difluorophenyl)-2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 26266266
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybutanamide
CID 25161505

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 112796553) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is LYTLXHHYSUJHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N5O2/c1-2-27(14-19(29)25-21-16(22)6-5-7-17(21)23)20(30)15-26-10-12-28(13-11-26)18-8-3-4-9-24-18/h3-9H,2,10-15H2,1H3,(H,25,29).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 417.46 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 112796553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).