[2-(4-chlorophenyl)-4-fluorophenyl] carbamate

C13H9ClFNO2 — CID 135389767

IUPAC[2-(4-chlorophenyl)-4-fluorophenyl] carbamate
SMILESNC(=O)Oc1ccc(F)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNO2/c14-9-3-1-8(2-4-9)11-7-10(15)5-6-12(11)18-13(16)17/h1-7H,(H2,16,17)
InChIKeyONKKBTCSLBDNMU-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.60
Rot. Bonds2

About [2-(4-chlorophenyl)-4-fluorophenyl] carbamate

[2-(4-chlorophenyl)-4-fluorophenyl] carbamate (PubChem CID 135389767) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-fluorophenyl] carbamate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-fluorophenyl] carbamate
PubChem CID135389767
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name[2-(4-chlorophenyl)-4-fluorophenyl] carbamate
SMILESNC(=O)Oc1ccc(F)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNO2/c14-9-3-1-8(2-4-9)11-7-10(15)5-6-12(11)18-13(16)17/h1-7H,(H2,16,17)
InChIKeyONKKBTCSLBDNMU-UHFFFAOYSA-N
XLogP3.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-fluorophenyl] carbamate?
The IUPAC name of [2-(4-chlorophenyl)-4-fluorophenyl] carbamate (CID 135389767) is [2-(4-chlorophenyl)-4-fluorophenyl] carbamate.
What is the SMILES notation for [2-(4-chlorophenyl)-4-fluorophenyl] carbamate?
The canonical SMILES for [2-(4-chlorophenyl)-4-fluorophenyl] carbamate is NC(=O)Oc1ccc(F)cc1-c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-4-fluorophenyl] carbamate?
The InChIKey is ONKKBTCSLBDNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-9-3-1-8(2-4-9)11-7-10(15)5-6-12(11)18-13(16)17/h1-7H,(H2,16,17).
What are the key properties of [2-(4-chlorophenyl)-4-fluorophenyl] carbamate?
[2-(4-chlorophenyl)-4-fluorophenyl] carbamate has a molecular weight of 265.67 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-fluorophenyl] carbamate is sourced from PubChem (CID 135389767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).