methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate

C17H17FINO3 — CID 126588359

IUPACmethyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate
SMILESCCc1ccc(OCc2c(I)cccc2NC(=O)OC)c(F)c1
InChIInChI=1S/C17H17FINO3/c1-3-11-7-8-16(13(18)9-11)23-10-12-14(19)5-4-6-15(12)20-17(21)22-2/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyAPYNXYJOAJTGEX-UHFFFAOYSA-N
MW429.23 g/mol
LogP4.75
Rot. Bonds5

About methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate

methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate (PubChem CID 126588359) has the molecular formula C17H17FINO3 and a molecular weight of 429.23 g/mol. Its IUPAC name is methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate
PubChem CID126588359
Molecular FormulaC17H17FINO3
Molecular Weight429.23 g/mol
Exact Mass429.02
IUPAC Namemethyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate
SMILESCCc1ccc(OCc2c(I)cccc2NC(=O)OC)c(F)c1
InChIInChI=1S/C17H17FINO3/c1-3-11-7-8-16(13(18)9-11)23-10-12-14(19)5-4-6-15(12)20-17(21)22-2/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyAPYNXYJOAJTGEX-UHFFFAOYSA-N
XLogP4.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.23
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate
CID 126589277
[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl] propanoate
CID 122626819
methyl N-[3-iodo-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamate
CID 129038436
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706
methyl N-[2-[[2-(difluoromethyl)-4-ethylphenoxy]methyl]-3-ethylphenyl]carbamate
CID 126588372
methyl N-[3-bromo-2-[(2-chloro-4-ethylphenoxy)methyl]phenyl]carbamate
CID 126587713
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126588100
methyl N-[3-ethoxy-2-[(4-ethyl-2-fluoro-5-methylphenoxy)methyl]phenyl]carbamate
CID 126587722
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126587851
methyl N-[3-bromo-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate;methyl N-[3-chloro-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-fluorophenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-iodophenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]-3-methylphenyl]carbamate;methyl N-[2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]carbamate
CID 161466064
methyl N-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[3-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-iodophenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]carbamate;methyl N-[2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 158986536
2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
CID 126589006

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate?
The IUPAC name of methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate (CID 126588359) is methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate.
What is the SMILES notation for methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate?
The canonical SMILES for methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate is CCc1ccc(OCc2c(I)cccc2NC(=O)OC)c(F)c1.
What is the InChIKey of methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate?
The InChIKey is APYNXYJOAJTGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FINO3/c1-3-11-7-8-16(13(18)9-11)23-10-12-14(19)5-4-6-15(12)20-17(21)22-2/h4-9H,3,10H2,1-2H3,(H,20,21).
What are the key properties of methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate?
methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate has a molecular weight of 429.23 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate is sourced from PubChem (CID 126588359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).