(3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate

C15H14FNO3 — CID 2127543

IUPAC(3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate
SMILESCOc1cccc(COC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C15H14FNO3/c1-19-12-6-4-5-11(9-12)10-20-15(18)17-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYSFPKDSDXMLWQF-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.58
Rot. Bonds4

About (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate

(3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate (PubChem CID 2127543) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate
PubChem CID2127543
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate
SMILESCOc1cccc(COC(=O)Nc2ccccc2F)c1
InChIInChI=1S/C15H14FNO3/c1-19-12-6-4-5-11(9-12)10-20-15(18)17-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyYSFPKDSDXMLWQF-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate?
The IUPAC name of (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate (CID 2127543) is (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate.
What is the SMILES notation for (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate?
The canonical SMILES for (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate is COc1cccc(COC(=O)Nc2ccccc2F)c1.
What is the InChIKey of (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate?
The InChIKey is YSFPKDSDXMLWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-19-12-6-4-5-11(9-12)10-20-15(18)17-14-8-3-2-7-13(14)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate?
(3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate has a molecular weight of 275.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 2127543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).