N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C22H24F2N2O3 — CID 56577903

IUPACN-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCC(COc1ccc(F)cc1F)NC(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H24F2N2O3/c1-15(14-29-19-11-10-17(23)13-18(19)24)25-22(28)21(16-7-3-2-4-8-16)26-12-6-5-9-20(26)27/h2-4,7-8,10-11,13,15,21H,5-6,9,12,14H2,1H3,(H,25,28)
InChIKeyCOXHAIWGGOTFOL-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.60
Rot. Bonds7

About N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56577903) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56577903
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC NameN-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCC(COc1ccc(F)cc1F)NC(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C22H24F2N2O3/c1-15(14-29-19-11-10-17(23)13-18(19)24)25-22(28)21(16-7-3-2-4-8-16)26-12-6-5-9-20(26)27/h2-4,7-8,10-11,13,15,21H,5-6,9,12,14H2,1H3,(H,25,28)
InChIKeyCOXHAIWGGOTFOL-UHFFFAOYSA-N
XLogP3.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505683
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 56515947
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505177
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119299978
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328
(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 124590772
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56577903) is N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CC(COc1ccc(F)cc1F)NC(=O)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is COXHAIWGGOTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c1-15(14-29-19-11-10-17(23)13-18(19)24)25-22(28)21(16-7-3-2-4-8-16)26-12-6-5-9-20(26)27/h2-4,7-8,10-11,13,15,21H,5-6,9,12,14H2,1H3,(H,25,28).
What are the key properties of N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 402.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56577903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).