[2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate

C14H11ClFNO3 — CID 121374953

IUPAC[2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate
SMILESCOc1ccc(OC(N)=O)c(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H11ClFNO3/c1-19-9-3-5-13(20-14(17)18)10(7-9)8-2-4-12(16)11(15)6-8/h2-7H,1H3,(H2,17,18)
InChIKeyIIKRGTKGGQIDFE-UHFFFAOYSA-N
MW295.70 g/mol
LogP3.61
Rot. Bonds3

About [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate

[2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate (PubChem CID 121374953) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate.

Molecular Properties

Compound Name[2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate
PubChem CID121374953
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name[2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate
SMILESCOc1ccc(OC(N)=O)c(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H11ClFNO3/c1-19-9-3-5-13(20-14(17)18)10(7-9)8-2-4-12(16)11(15)6-8/h2-7H,1H3,(H2,17,18)
InChIKeyIIKRGTKGGQIDFE-UHFFFAOYSA-N
XLogP3.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate?
The IUPAC name of [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate (CID 121374953) is [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate.
What is the SMILES notation for [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate?
The canonical SMILES for [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate is COc1ccc(OC(N)=O)c(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate?
The InChIKey is IIKRGTKGGQIDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c1-19-9-3-5-13(20-14(17)18)10(7-9)8-2-4-12(16)11(15)6-8/h2-7H,1H3,(H2,17,18).
What are the key properties of [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate?
[2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate has a molecular weight of 295.70 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-fluorophenyl)-4-methoxyphenyl] carbamate is sourced from PubChem (CID 121374953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).