methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate

C14H11ClFNO4 — CID 18759303

IUPACmethyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate
SMILESCOC(=O)Nc1cc(Oc2ccccc2O)c(Cl)cc1F
InChIInChI=1S/C14H11ClFNO4/c1-20-14(19)17-10-7-13(8(15)6-9(10)16)21-12-5-3-2-4-11(12)18/h2-7,18H,1H3,(H,17,19)
InChIKeyFWRXSBVBRAGJIM-UHFFFAOYSA-N
MW311.70 g/mol
LogP4.16
Rot. Bonds3

About methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate

methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate (PubChem CID 18759303) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate
PubChem CID18759303
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Namemethyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate
SMILESCOC(=O)Nc1cc(Oc2ccccc2O)c(Cl)cc1F
InChIInChI=1S/C14H11ClFNO4/c1-20-14(19)17-10-7-13(8(15)6-9(10)16)21-12-5-3-2-4-11(12)18/h2-7,18H,1H3,(H,17,19)
InChIKeyFWRXSBVBRAGJIM-UHFFFAOYSA-N
XLogP4.16
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate?
The IUPAC name of methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate (CID 18759303) is methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate?
The canonical SMILES for methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate is COC(=O)Nc1cc(Oc2ccccc2O)c(Cl)cc1F.
What is the InChIKey of methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate?
The InChIKey is FWRXSBVBRAGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c1-20-14(19)17-10-7-13(8(15)6-9(10)16)21-12-5-3-2-4-11(12)18/h2-7,18H,1H3,(H,17,19).
What are the key properties of methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate?
methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate has a molecular weight of 311.70 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-chloro-2-fluoro-5-(2-hydroxyphenoxy)phenyl]carbamate is sourced from PubChem (CID 18759303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).