[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate

C19H22FNO3 — CID 122626883

IUPAC[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate
SMILESCCc1cc(C)c(OCc2c(F)cccc2OC(=O)NC)cc1C
InChIInChI=1S/C19H22FNO3/c1-5-14-9-13(3)18(10-12(14)2)23-11-15-16(20)7-6-8-17(15)24-19(22)21-4/h6-10H,5,11H2,1-4H3,(H,21,22)
InChIKeyMNMSRXJZMYCSJS-UHFFFAOYSA-N
MW331.39 g/mol
LogP4.30
Rot. Bonds5

About [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate

[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate (PubChem CID 122626883) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate
PubChem CID122626883
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate
SMILESCCc1cc(C)c(OCc2c(F)cccc2OC(=O)NC)cc1C
InChIInChI=1S/C19H22FNO3/c1-5-14-9-13(3)18(10-12(14)2)23-11-15-16(20)7-6-8-17(15)24-19(22)21-4/h6-10H,5,11H2,1-4H3,(H,21,22)
InChIKeyMNMSRXJZMYCSJS-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate with MolForge

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Related Compounds

[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122646293
O-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamothioate
CID 122649558
[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamate
CID 122649555
[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] methylsulfanylformate
CID 122649133
[2-[(4-ethyl-5-fluoro-2-methylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122649068
methyl 2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl]-2-oxoacetate
CID 126588290
[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methylsulfanylphenyl] methyl carbonate
CID 122649429
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate
CID 122649822
2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
CID 126589388
[3-fluoro-2-[(2,4,5-trimethylphenoxy)methyl]phenoxy]-methoxymethanethione
CID 122646268
S-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methylsulfanylphenyl] N-methylcarbamothioate
CID 122626861
S-[3-ethoxy-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl] N-methylcarbamothioate
CID 122649578

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate?
The IUPAC name of [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate (CID 122626883) is [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate.
What is the SMILES notation for [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate?
The canonical SMILES for [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate is CCc1cc(C)c(OCc2c(F)cccc2OC(=O)NC)cc1C.
What is the InChIKey of [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate?
The InChIKey is MNMSRXJZMYCSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-5-14-9-13(3)18(10-12(14)2)23-11-15-16(20)7-6-8-17(15)24-19(22)21-4/h6-10H,5,11H2,1-4H3,(H,21,22).
What are the key properties of [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate?
[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate has a molecular weight of 331.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-fluorophenyl] N-methylcarbamate is sourced from PubChem (CID 122626883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).