methyl N-(4-chloro-2-iodophenyl)carbamate

C8H7ClINO2 — CID 103767047

IUPACmethyl N-(4-chloro-2-iodophenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C8H7ClINO2/c1-13-8(12)11-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyBUGGWWAMIVGMDG-UHFFFAOYSA-N
MW311.51 g/mol
LogP3.12
Rot. Bonds1

About methyl N-(4-chloro-2-iodophenyl)carbamate

methyl N-(4-chloro-2-iodophenyl)carbamate (PubChem CID 103767047) has the molecular formula C8H7ClINO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is methyl N-(4-chloro-2-iodophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-chloro-2-iodophenyl)carbamate
PubChem CID103767047
Molecular FormulaC8H7ClINO2
Molecular Weight311.51 g/mol
Exact Mass310.92
IUPAC Namemethyl N-(4-chloro-2-iodophenyl)carbamate
SMILESCOC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C8H7ClINO2/c1-13-8(12)11-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H,11,12)
InChIKeyBUGGWWAMIVGMDG-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 53.12
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

N-(4-chloro-2-iodophenyl)-2-methoxy-2-methylpropanamide
CID 103766777
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
methyl N-(5-chloro-2-fluorophenyl)carbamate
CID 110778567
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
2-bromo-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107624939
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
2-amino-N-(4-chloro-2-iodophenyl)-2-methylpropanamide
CID 107625511

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chloro-2-iodophenyl)carbamate?
The IUPAC name of methyl N-(4-chloro-2-iodophenyl)carbamate (CID 103767047) is methyl N-(4-chloro-2-iodophenyl)carbamate.
What is the SMILES notation for methyl N-(4-chloro-2-iodophenyl)carbamate?
The canonical SMILES for methyl N-(4-chloro-2-iodophenyl)carbamate is COC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of methyl N-(4-chloro-2-iodophenyl)carbamate?
The InChIKey is BUGGWWAMIVGMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClINO2/c1-13-8(12)11-7-3-2-5(9)4-6(7)10/h2-4H,1H3,(H,11,12).
What are the key properties of methyl N-(4-chloro-2-iodophenyl)carbamate?
methyl N-(4-chloro-2-iodophenyl)carbamate has a molecular weight of 311.51 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chloro-2-iodophenyl)carbamate is sourced from PubChem (CID 103767047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).