benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate

C21H17FN2O4 — CID 19695814

IUPACbenzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate
SMILESO=CCn1c(-c2ccc(F)cc2)ccc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C21H17FN2O4/c22-17-8-6-16(7-9-17)19-11-10-18(20(26)24(19)12-13-25)23-21(27)28-14-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,23,27)
InChIKeyNBIQJFYZOJUYPX-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.60
Rot. Bonds6

About benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate

benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate (PubChem CID 19695814) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate
PubChem CID19695814
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Namebenzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate
SMILESO=CCn1c(-c2ccc(F)cc2)ccc(NC(=O)OCc2ccccc2)c1=O
InChIInChI=1S/C21H17FN2O4/c22-17-8-6-16(7-9-17)19-11-10-18(20(26)24(19)12-13-25)23-21(27)28-14-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,23,27)
InChIKeyNBIQJFYZOJUYPX-UHFFFAOYSA-N
XLogP3.60
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate (CID 19695814) is benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate is O=CCn1c(-c2ccc(F)cc2)ccc(NC(=O)OCc2ccccc2)c1=O.
What is the InChIKey of benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate?
The InChIKey is NBIQJFYZOJUYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-17-8-6-16(7-9-17)19-11-10-18(20(26)24(19)12-13-25)23-21(27)28-14-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,23,27).
What are the key properties of benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate?
benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate has a molecular weight of 380.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 19695814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).