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

C18H19FINO3 — CID 126589277

IUPACfluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate
SMILESCCc1ccc(OCc2c(I)cccc2NC(=O)OCF)c(C)c1
InChIInChI=1S/C18H19FINO3/c1-3-13-7-8-17(12(2)9-13)23-10-14-15(20)5-4-6-16(14)21-18(22)24-11-19/h4-9H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyBCPHMLHUJXMZEL-UHFFFAOYSA-N
MW443.26 g/mol
LogP5.22
Rot. Bonds6

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

fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate (PubChem CID 126589277) has the molecular formula C18H19FINO3 and a molecular weight of 443.26 g/mol. Its IUPAC name is fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate.

Molecular Properties

Compound Namefluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate
PubChem CID126589277
Molecular FormulaC18H19FINO3
Molecular Weight443.26 g/mol
Exact Mass443.04
IUPAC Namefluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate
SMILESCCc1ccc(OCc2c(I)cccc2NC(=O)OCF)c(C)c1
InChIInChI=1S/C18H19FINO3/c1-3-13-7-8-17(12(2)9-13)23-10-14-15(20)5-4-6-16(14)21-18(22)24-11-19/h4-9H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyBCPHMLHUJXMZEL-UHFFFAOYSA-N
XLogP5.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.26
LogP ≤ 55.22
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

methyl N-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-iodophenyl]carbamate
CID 126588359
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126587851
methyl N-[3-iodo-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamate
CID 129038436
1-[3-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126589307
S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-methylphenyl]carbamothioate
CID 126587842
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126588100
fluoromethyl N-[3-chloro-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamate
CID 126588118
S-methyl N-[3-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate
CID 126587843
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
O-(fluoromethyl) N-[3-iodo-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamothioate
CID 129038580
methyl N-[2-[(2-chloro-4-ethylphenoxy)methyl]-3-methylphenyl]carbamate
CID 126587706
N-ethyl-N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]propanamide
CID 126588765

Frequently Asked Questions

What is the IUPAC name of fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate?
The IUPAC name of fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate (CID 126589277) is fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate.
What is the SMILES notation for fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate?
The canonical SMILES for fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate is CCc1ccc(OCc2c(I)cccc2NC(=O)OCF)c(C)c1.
What is the InChIKey of fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate?
The InChIKey is BCPHMLHUJXMZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FINO3/c1-3-13-7-8-17(12(2)9-13)23-10-14-15(20)5-4-6-16(14)21-18(22)24-11-19/h4-9H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate?
fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate has a molecular weight of 443.26 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-iodophenyl]carbamate is sourced from PubChem (CID 126589277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).