ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate

C10H11ClINO2 — CID 131846229

IUPACethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c(C)cc1I
InChIInChI=1S/C10H11ClINO2/c1-3-15-10(14)13-9-5-7(11)6(2)4-8(9)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeySZLLPPZUIAFXEU-UHFFFAOYSA-N
MW339.56 g/mol
LogP3.82
Rot. Bonds2

About ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate

ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate (PubChem CID 131846229) has the molecular formula C10H11ClINO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate
PubChem CID131846229
Molecular FormulaC10H11ClINO2
Molecular Weight339.56 g/mol
Exact Mass338.95
IUPAC Nameethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c(C)cc1I
InChIInChI=1S/C10H11ClINO2/c1-3-15-10(14)13-9-5-7(11)6(2)4-8(9)12/h4-5H,3H2,1-2H3,(H,13,14)
InChIKeySZLLPPZUIAFXEU-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
2-(5-chloro-2-iodo-4-methylanilino)acetic acid
CID 170069943
ethyl N-[2-chloro-5-methyl-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]carbamate
CID 110179148
ethyl N-(2,4-diamino-5-methylphenyl)carbamate
CID 154351383
ethyl N-(4-chloro-2-fluoro-5-sulfanylphenyl)carbamate
CID 139638488
ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate
CID 59228675
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
CID 9270970
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate?
The IUPAC name of ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate (CID 131846229) is ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate.
What is the SMILES notation for ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate?
The canonical SMILES for ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate is CCOC(=O)Nc1cc(Cl)c(C)cc1I.
What is the InChIKey of ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate?
The InChIKey is SZLLPPZUIAFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO2/c1-3-15-10(14)13-9-5-7(11)6(2)4-8(9)12/h4-5H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate?
ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate has a molecular weight of 339.56 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-chloro-2-iodo-4-methylphenyl)carbamate is sourced from PubChem (CID 131846229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).