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

C18H20FNO3 — CID 129039328

IUPACethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(F)cc1COc1ccc(C)cc1C
InChIInChI=1S/C18H20FNO3/c1-4-22-18(21)20-16-7-6-15(19)10-14(16)11-23-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyFLAJPCTYWCMRTB-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.59
Rot. Bonds5

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

ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate (PubChem CID 129039328) 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]-4-fluorophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
PubChem CID129039328
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Nameethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(F)cc1COc1ccc(C)cc1C
InChIInChI=1S/C18H20FNO3/c1-4-22-18(21)20-16-7-6-15(19)10-14(16)11-23-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyFLAJPCTYWCMRTB-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

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Related Compounds

ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]carbamate
CID 129039597
difluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 126515964
ethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-fluorophenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-propan-2-ylphenyl]carbamate;ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-(trifluoromethyl)phenyl]carbamate
CID 158192195
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
CID 129039211
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
difluoromethyl N-[4-(difluoromethyl)-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039570
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]carbamate
CID 129039540
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamothioate
CID 129039735
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
S-methyl N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 129039729
N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039431

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate?
The IUPAC name of ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate (CID 129039328) is ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate is CCOC(=O)Nc1ccc(F)cc1COc1ccc(C)cc1C.
What is the InChIKey of ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate?
The InChIKey is FLAJPCTYWCMRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-4-22-18(21)20-16-7-6-15(19)10-14(16)11-23-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate?
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-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]-4-fluorophenyl]carbamate is sourced from PubChem (CID 129039328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).