CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER

C13H11FN2O2 — CID 21001

IUPACpyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
SMILESC1=CC(=CC=C1NC(=O)OCC2=CC=NC=C2)F
InChIInChI=1S/C13H11FN2O2/c14-11-1-3-12(4-2-11)16-13(17)18-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)
InChIKeyLOWXZIMNVQRJIQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.00
Rot. Bonds4

About CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER

CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER (PubChem CID 21001) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound NameCARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER
PubChem CID21001
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Namepyridin-4-ylmethyl N-(4-fluorophenyl)carbamate
SMILESC1=CC(=CC=C1NC(=O)OCC2=CC=NC=C2)F
InChIInChI=1S/C13H11FN2O2/c14-11-1-3-12(4-2-11)16-13(17)18-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)
InChIKeyLOWXZIMNVQRJIQ-UHFFFAOYSA-N
XLogP2.00
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity262

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER 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 CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
The IUPAC name of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER (CID 21001) is pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
The canonical SMILES for CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER is C1=CC(=CC=C1NC(=O)OCC2=CC=NC=C2)F.
What is the InChIKey of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
The InChIKey is LOWXZIMNVQRJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c14-11-1-3-12(4-2-11)16-13(17)18-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17).
What are the key properties of CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER?
CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER has a molecular weight of 246.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CARBANILIC ACID, p-FLUORO-, 4-PYRIDYLMETHYL ESTER is sourced from PubChem (CID 21001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).