N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide

C21H23FN2O2 — CID 109052000

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
SMILESO=C(NCCc1ccccc1F)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23FN2O2/c22-19-10-3-2-7-16(19)11-12-23-20(25)17-8-6-9-18(15-17)21(26)24-13-4-1-5-14-24/h2-3,6-10,15H,1,4-5,11-14H2,(H,23,25)
InChIKeyFMZMHIKJYHOSQL-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.42
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide

N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide (PubChem CID 109052000) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
PubChem CID109052000
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
SMILESO=C(NCCc1ccccc1F)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C21H23FN2O2/c22-19-10-3-2-7-16(19)11-12-23-20(25)17-8-6-9-18(15-17)21(26)24-13-4-1-5-14-24/h2-3,6-10,15H,1,4-5,11-14H2,(H,23,25)
InChIKeyFMZMHIKJYHOSQL-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 109055683
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
3-(2-fluorophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide
CID 55862325
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
N-[2-(2-fluorophenyl)ethyl]-1-(3-nitrobenzoyl)piperidine-4-carboxamide
CID 55779155
N-[2-(2-fluorophenyl)ethyl]-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 55779188

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide (CID 109052000) is N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide is O=C(NCCc1ccccc1F)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide?
The InChIKey is FMZMHIKJYHOSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-19-10-3-2-7-16(19)11-12-23-20(25)17-8-6-9-18(15-17)21(26)24-13-4-1-5-14-24/h2-3,6-10,15H,1,4-5,11-14H2,(H,23,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide?
N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide has a molecular weight of 354.43 g/mol, XLogP of 3.42, 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]-3-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109052000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).