N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide

C20H21FN2O2 — CID 9490586

IUPACN-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCCc1ccccc1F)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H21FN2O2/c21-18-6-2-1-5-15(18)12-13-22-20(25)16-8-10-17(11-9-16)23-14-4-3-7-19(23)24/h1-2,5-6,8-11H,3-4,7,12-14H2,(H,22,25)
InChIKeyXCIXFIRWFXQWAW-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 9490586) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID9490586
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NCCc1ccccc1F)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C20H21FN2O2/c21-18-6-2-1-5-15(18)12-13-22-20(25)16-8-10-17(11-9-16)23-14-4-3-7-19(23)24/h1-2,5-6,8-11H,3-4,7,12-14H2,(H,22,25)
InChIKeyXCIXFIRWFXQWAW-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490231
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299311
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9156547
2-fluoro-N'-[4-(2-oxopiperidin-1-yl)benzoyl]benzohydrazide
CID 31794745
N-[2-(1H-indol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27644488
4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24516619
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
N-[4-(4-fluorophenoxy)butyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32644603
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32604555

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 9490586) is N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide is O=C(NCCc1ccccc1F)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is XCIXFIRWFXQWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-18-6-2-1-5-15(18)12-13-22-20(25)16-8-10-17(11-9-16)23-14-4-3-7-19(23)24/h1-2,5-6,8-11H,3-4,7,12-14H2,(H,22,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 340.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 9490586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).