2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide

C19H22FNO2 — CID 126588249

IUPAC2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
SMILESCCc1ccc(OCc2c(F)cccc2CC(=O)NC)c(C)c1
InChIInChI=1S/C19H22FNO2/c1-4-14-8-9-18(13(2)10-14)23-12-16-15(11-19(22)21-3)6-5-7-17(16)20/h5-10H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyMEVHHVCNNVDVEF-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide

2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide (PubChem CID 126588249) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
PubChem CID126588249
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
SMILESCCc1ccc(OCc2c(F)cccc2CC(=O)NC)c(C)c1
InChIInChI=1S/C19H22FNO2/c1-4-14-8-9-18(13(2)10-14)23-12-16-15(11-19(22)21-3)6-5-7-17(16)20/h5-10H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyMEVHHVCNNVDVEF-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylpropanamide
CID 122626549
2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
CID 126589006
2-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
CID 126589009
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126587851
S-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl] N-methylcarbamothioate
CID 122626847
2-[2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]-3-iodophenyl]-N-methylacetamide
CID 126588283
2-[3-ethoxy-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 126588276
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126588100
2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039472
[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl] N-methylcarbamate
CID 122649822
2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039243
2-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
CID 126588257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide (CID 126588249) is 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide is CCc1ccc(OCc2c(F)cccc2CC(=O)NC)c(C)c1.
What is the InChIKey of 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide?
The InChIKey is MEVHHVCNNVDVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-4-14-8-9-18(13(2)10-14)23-12-16-15(11-19(22)21-3)6-5-7-17(16)20/h5-10H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide?
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide has a molecular weight of 315.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide is sourced from PubChem (CID 126588249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).