ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate

C21H23FN2O2 — CID 71176838

IUPACethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate
SMILESCCOC(=O)NC1=C(c2ccc(F)cc2)CN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23FN2O2/c1-2-26-21(25)23-20-12-13-24(14-16-6-4-3-5-7-16)15-19(20)17-8-10-18(22)11-9-17/h3-11H,2,12-15H2,1H3,(H,23,25)
InChIKeyZVLRXULPGWIZDZ-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.19
Rot. Bonds5

About ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate

ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate (PubChem CID 71176838) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate
PubChem CID71176838
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Nameethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate
SMILESCCOC(=O)NC1=C(c2ccc(F)cc2)CN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23FN2O2/c1-2-26-21(25)23-20-12-13-24(14-16-6-4-3-5-7-16)15-19(20)17-8-10-18(22)11-9-17/h3-11H,2,12-15H2,1H3,(H,23,25)
InChIKeyZVLRXULPGWIZDZ-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate (CID 71176838) is ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate is CCOC(=O)NC1=C(c2ccc(F)cc2)CN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate?
The InChIKey is ZVLRXULPGWIZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-2-26-21(25)23-20-12-13-24(14-16-6-4-3-5-7-16)15-19(20)17-8-10-18(22)11-9-17/h3-11H,2,12-15H2,1H3,(H,23,25).
What are the key properties of ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate?
ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate has a molecular weight of 354.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate is sourced from PubChem (CID 71176838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).