(4-fluorophenyl) N-benzoylcarbamate

C14H10FNO3 — CID 790834

IUPAC(4-fluorophenyl) N-benzoylcarbamate
SMILESO=C(NC(=O)c1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C14H10FNO3/c15-11-6-8-12(9-7-11)19-14(18)16-13(17)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyJFVWIXNCQVXDRL-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.75
Rot. Bonds2

About (4-fluorophenyl) N-benzoylcarbamate

(4-fluorophenyl) N-benzoylcarbamate (PubChem CID 790834) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is (4-fluorophenyl) N-benzoylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-benzoylcarbamate
PubChem CID790834
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name(4-fluorophenyl) N-benzoylcarbamate
SMILESO=C(NC(=O)c1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C14H10FNO3/c15-11-6-8-12(9-7-11)19-14(18)16-13(17)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyJFVWIXNCQVXDRL-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-benzoylcarbamate?
The IUPAC name of (4-fluorophenyl) N-benzoylcarbamate (CID 790834) is (4-fluorophenyl) N-benzoylcarbamate.
What is the SMILES notation for (4-fluorophenyl) N-benzoylcarbamate?
The canonical SMILES for (4-fluorophenyl) N-benzoylcarbamate is O=C(NC(=O)c1ccccc1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) N-benzoylcarbamate?
The InChIKey is JFVWIXNCQVXDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-11-6-8-12(9-7-11)19-14(18)16-13(17)10-4-2-1-3-5-10/h1-9H,(H,16,17,18).
What are the key properties of (4-fluorophenyl) N-benzoylcarbamate?
(4-fluorophenyl) N-benzoylcarbamate has a molecular weight of 259.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-benzoylcarbamate is sourced from PubChem (CID 790834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).