ethyl N-(5-chloro-2-iodophenyl)carbamate

C9H9ClINO2 — CID 22490681

IUPACethyl N-(5-chloro-2-iodophenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)ccc1I
InChIInChI=1S/C9H9ClINO2/c1-2-14-9(13)12-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyCFRMQKIGEHMMJN-UHFFFAOYSA-N
MW325.53 g/mol
LogP3.51
Rot. Bonds2

About ethyl N-(5-chloro-2-iodophenyl)carbamate

ethyl N-(5-chloro-2-iodophenyl)carbamate (PubChem CID 22490681) has the molecular formula C9H9ClINO2 and a molecular weight of 325.53 g/mol. Its IUPAC name is ethyl N-(5-chloro-2-iodophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-chloro-2-iodophenyl)carbamate
PubChem CID22490681
Molecular FormulaC9H9ClINO2
Molecular Weight325.53 g/mol
Exact Mass324.94
IUPAC Nameethyl N-(5-chloro-2-iodophenyl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)ccc1I
InChIInChI=1S/C9H9ClINO2/c1-2-14-9(13)12-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyCFRMQKIGEHMMJN-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 53.51
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-iodo-4-methylphenyl)carbamate
CID 131846229
ethyl N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]carbamate
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ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate
CID 12930188
dimethyl 2-[[4-chloro-2-(ethoxycarbonylamino)phenyl]-hydroxymethylidene]propanedioate
CID 100974539
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
CID 107640719
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
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2-(5-chloro-2-iodoanilino)ethene-1,1,2-tricarbonitrile
CID 168606199
ethyl 2-(5-chloro-2-iodophenyl)-2-oxoacetate
CID 139220418
methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
ethyl 4-(4-chloro-2-iodoanilino)-4-oxobutanoate
CID 113257827
N-(5-chloro-2-iodophenyl)-2,2,2-trifluoroacetamide
CID 87693092
ethyl N-[(4-chloro-2-methylphenyl)carbamoylamino]carbamate
CID 4307615

Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-chloro-2-iodophenyl)carbamate?
The IUPAC name of ethyl N-(5-chloro-2-iodophenyl)carbamate (CID 22490681) is ethyl N-(5-chloro-2-iodophenyl)carbamate.
What is the SMILES notation for ethyl N-(5-chloro-2-iodophenyl)carbamate?
The canonical SMILES for ethyl N-(5-chloro-2-iodophenyl)carbamate is CCOC(=O)Nc1cc(Cl)ccc1I.
What is the InChIKey of ethyl N-(5-chloro-2-iodophenyl)carbamate?
The InChIKey is CFRMQKIGEHMMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClINO2/c1-2-14-9(13)12-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of ethyl N-(5-chloro-2-iodophenyl)carbamate?
ethyl N-(5-chloro-2-iodophenyl)carbamate has a molecular weight of 325.53 g/mol, XLogP of 3.51, 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-iodophenyl)carbamate is sourced from PubChem (CID 22490681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).