phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate

C16H16FNO3 — CID 60676113

IUPACphenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
SMILESCN(CCOc1ccc(F)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16FNO3/c1-18(16(19)21-15-5-3-2-4-6-15)11-12-20-14-9-7-13(17)8-10-14/h2-10H,11-12H2,1H3
InChIKeyAHEVNMAVUVIQID-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.34
Rot. Bonds5

About phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate

phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate (PubChem CID 60676113) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
PubChem CID60676113
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Namephenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
SMILESCN(CCOc1ccc(F)cc1)C(=O)Oc1ccccc1
InChIInChI=1S/C16H16FNO3/c1-18(16(19)21-15-5-3-2-4-6-15)11-12-20-14-9-7-13(17)8-10-14/h2-10H,11-12H2,1H3
InChIKeyAHEVNMAVUVIQID-UHFFFAOYSA-N
XLogP3.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
phenyl N-butyl-N-methylcarbamate
CID 564973
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
N-[(4-fluorophenyl)methyl]-N-(2-phenoxyethyl)acetamide
CID 22660942
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 55754249

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate (CID 60676113) is phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate is CN(CCOc1ccc(F)cc1)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate?
The InChIKey is AHEVNMAVUVIQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-18(16(19)21-15-5-3-2-4-6-15)11-12-20-14-9-7-13(17)8-10-14/h2-10H,11-12H2,1H3.
What are the key properties of phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate?
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate has a molecular weight of 289.31 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate is sourced from PubChem (CID 60676113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).