N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C21H22BrFN2O2 — CID 56577703

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C21H22BrFN2O2/c1-24(14-16-13-17(22)10-11-18(16)23)21(27)20(15-7-3-2-4-8-15)25-12-6-5-9-19(25)26/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3
InChIKeyYMZWOQJZFWRPAM-UHFFFAOYSA-N
MW433.32 g/mol
LogP4.30
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56577703) has the molecular formula C21H22BrFN2O2 and a molecular weight of 433.32 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56577703
Molecular FormulaC21H22BrFN2O2
Molecular Weight433.32 g/mol
Exact Mass432.08
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C21H22BrFN2O2/c1-24(14-16-13-17(22)10-11-18(16)23)21(27)20(15-7-3-2-4-8-15)25-12-6-5-9-19(25)26/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3
InChIKeyYMZWOQJZFWRPAM-UHFFFAOYSA-N
XLogP4.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)acetamide
CID 78865688
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515688
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119654619
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515351
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505972
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56574904
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
CID 55580788
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180686
(2S)-N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 96514873
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56577703) is N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CN(Cc1cc(Br)ccc1F)C(=O)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is YMZWOQJZFWRPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrFN2O2/c1-24(14-16-13-17(22)10-11-18(16)23)21(27)20(15-7-3-2-4-8-15)25-12-6-5-9-19(25)26/h2-4,7-8,10-11,13,20H,5-6,9,12,14H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 433.32 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56577703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).