benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

C18H19FN2O3 — CID 5306150

IUPACbenzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyXKGUZGHMWUIYDR-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.41
Rot. Bonds4

About benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate (PubChem CID 5306150) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
PubChem CID5306150
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Namebenzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate
SMILESO=C(Nc1ccc(N2CCOCC2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
InChIKeyXKGUZGHMWUIYDR-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)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-(3-fluoro-4-morpholin-4-ylphenyl)carbamate?
The IUPAC name of benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate (CID 5306150) is benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate.
What is the SMILES notation for benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate?
The canonical SMILES for benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate is O=C(Nc1ccc(N2CCOCC2)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate?
The InChIKey is XKGUZGHMWUIYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22).
What are the key properties of benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate?
benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate has a molecular weight of 330.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate is sourced from PubChem (CID 5306150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).