2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide

C28H28F2N2O3 — CID 55738106

IUPAC2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C28H28F2N2O3/c1-2-35-25-11-7-6-10-24(25)31-28(34)26(19-8-4-3-5-9-19)32-16-14-20(15-17-32)27(33)22-18-21(29)12-13-23(22)30/h3-13,18,20,26H,2,14-17H2,1H3,(H,31,34)
InChIKeyGQBAVIUFXVMGKL-UHFFFAOYSA-N
MW478.54 g/mol
LogP5.64
Rot. Bonds8

About 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide

2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 55738106) has the molecular formula C28H28F2N2O3 and a molecular weight of 478.54 g/mol. Its IUPAC name is 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID55738106
Molecular FormulaC28H28F2N2O3
Molecular Weight478.54 g/mol
Exact Mass478.21
IUPAC Name2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(c1ccccc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C28H28F2N2O3/c1-2-35-25-11-7-6-10-24(25)31-28(34)26(19-8-4-3-5-9-19)32-16-14-20(15-17-32)27(33)22-18-21(29)12-13-23(22)30/h3-13,18,20,26H,2,14-17H2,1H3,(H,31,34)
InChIKeyGQBAVIUFXVMGKL-UHFFFAOYSA-N
XLogP5.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylacetamide
CID 51119993
N-(2-ethoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-phenylacetamide
CID 111333839
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
N-(2-ethoxyphenyl)-2-(3-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 18083515
(2S)-2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 52513026
ethyl (3S)-1-[(1S)-2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxylate
CID 51724508
(2R)-N-(2-ethoxyphenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 8774504
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
N-(2-ethoxyphenyl)-2-(2-methylmorpholin-4-yl)-2-phenylacetamide
CID 46673898
2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56546226
1-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904873

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 55738106) is 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)C(c1ccccc1)N1CCC(C(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is GQBAVIUFXVMGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N2O3/c1-2-35-25-11-7-6-10-24(25)31-28(34)26(19-8-4-3-5-9-19)32-16-14-20(15-17-32)27(33)22-18-21(29)12-13-23(22)30/h3-13,18,20,26H,2,14-17H2,1H3,(H,31,34).
What are the key properties of 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide?
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 478.54 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 55738106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).