ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate

C18H20FNO3 — CID 129039597

IUPACethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1c(F)cccc1COc1ccc(C)cc1C
InChIInChI=1S/C18H20FNO3/c1-4-22-18(21)20-17-14(6-5-7-15(17)19)11-23-16-9-8-12(2)10-13(16)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyIAPUSHLBBWRGGF-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.59
Rot. Bonds5

About ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate

ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate (PubChem CID 129039597) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
PubChem CID129039597
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Nameethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1c(F)cccc1COc1ccc(C)cc1C
InChIInChI=1S/C18H20FNO3/c1-4-22-18(21)20-17-14(6-5-7-15(17)19)11-23-16-9-8-12(2)10-13(16)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyIAPUSHLBBWRGGF-UHFFFAOYSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea
CID 129039724
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
ethyl N-[2-ethoxy-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126588557
O-ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 129038608
(2-fluorophenyl)methyl N-(2,4-dimethylphenyl)carbamate
CID 127520358
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]carbamothioate
CID 129039524
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885457
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
CID 118244149
[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl] propanoate
CID 122645816

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate?
The IUPAC name of ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate (CID 129039597) is ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate is CCOC(=O)Nc1c(F)cccc1COc1ccc(C)cc1C.
What is the InChIKey of ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate?
The InChIKey is IAPUSHLBBWRGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-4-22-18(21)20-17-14(6-5-7-15(17)19)11-23-16-9-8-12(2)10-13(16)3/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate?
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate has a molecular weight of 317.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate is sourced from PubChem (CID 129039597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).