2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide

C21H24ClFN2O — CID 46891141

IUPAC2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide
SMILESCC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C21H24ClFN2O/c1-2-14-12-24-10-9-16(14)13-25-21(26)20-18(7-4-8-19(20)23)15-5-3-6-17(22)11-15/h3-8,11,14,16,24H,2,9-10,12-13H2,1H3,(H,25,26)/t14-,16+/m0/s1
InChIKeyXRFSBFDSFFGNLO-GOEBONIOSA-N
MW374.89 g/mol
LogP4.51
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide

2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide (PubChem CID 46891141) has the molecular formula C21H24ClFN2O and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide
PubChem CID46891141
Molecular FormulaC21H24ClFN2O
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide
SMILESCC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1
InChIInChI=1S/C21H24ClFN2O/c1-2-14-12-24-10-9-16(14)13-25-21(26)20-18(7-4-8-19(20)23)15-5-3-6-17(22)11-15/h3-8,11,14,16,24H,2,9-10,12-13H2,1H3,(H,25,26)/t14-,16+/m0/s1
InChIKeyXRFSBFDSFFGNLO-GOEBONIOSA-N
XLogP4.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide (CID 46891141) is 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide is CC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide?
The InChIKey is XRFSBFDSFFGNLO-GOEBONIOSA-N. The full InChI is InChI=1S/C21H24ClFN2O/c1-2-14-12-24-10-9-16(14)13-25-21(26)20-18(7-4-8-19(20)23)15-5-3-6-17(22)11-15/h3-8,11,14,16,24H,2,9-10,12-13H2,1H3,(H,25,26)/t14-,16+/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide?
2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide has a molecular weight of 374.89 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[[(3R,4S)-3-ethylpiperidin-4-yl]methyl]-6-fluorobenzamide is sourced from PubChem (CID 46891141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).