phenyl N-(4-iodophenyl)carbamate

C13H10INO2 — CID 73442286

IUPACphenyl N-(4-iodophenyl)carbamate
SMILESO=C(Nc1ccc([123I])cc1)Oc1ccccc1
InChIInChI=1S/C13H10INO2/c14-10-6-8-11(9-7-10)15-13(16)17-12-4-2-1-3-5-12/h1-9H,(H,15,16)/i14-4
InChIKeyMWVJDZJEEOVQID-CKVWVWRJSA-N
MW335.13 g/mol
LogP3.90
Rot. Bonds2

About phenyl N-(4-iodophenyl)carbamate

phenyl N-(4-iodophenyl)carbamate (PubChem CID 73442286) has the molecular formula C13H10INO2 and a molecular weight of 335.13 g/mol. Its IUPAC name is phenyl N-(4-iodophenyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-iodophenyl)carbamate
PubChem CID73442286
Molecular FormulaC13H10INO2
Molecular Weight335.13 g/mol
Exact Mass334.98
IUPAC Namephenyl N-(4-iodophenyl)carbamate
SMILESO=C(Nc1ccc([123I])cc1)Oc1ccccc1
InChIInChI=1S/C13H10INO2/c14-10-6-8-11(9-7-10)15-13(16)17-12-4-2-1-3-5-12/h1-9H,(H,15,16)/i14-4
InChIKeyMWVJDZJEEOVQID-CKVWVWRJSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.90
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

phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
[4-(phenoxycarbonylamino)phenyl] 2-methylprop-2-enoate
CID 19076921
phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate
CID 110425242
phenyl N-[4-(1-fluorocyclopropyl)phenyl]carbamate
CID 169322843
methyl 2-[4-(phenoxycarbonylamino)phenyl]acetate
CID 10957066
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
phenyl N-[4-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 106911564
phenyl N-(4-pentylphenyl)carbamate
CID 60630597
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
phenyl N-phenoxycarbonylcarbamate
CID 11043392

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-iodophenyl)carbamate?
The IUPAC name of phenyl N-(4-iodophenyl)carbamate (CID 73442286) is phenyl N-(4-iodophenyl)carbamate.
What is the SMILES notation for phenyl N-(4-iodophenyl)carbamate?
The canonical SMILES for phenyl N-(4-iodophenyl)carbamate is O=C(Nc1ccc([123I])cc1)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-iodophenyl)carbamate?
The InChIKey is MWVJDZJEEOVQID-CKVWVWRJSA-N. The full InChI is InChI=1S/C13H10INO2/c14-10-6-8-11(9-7-10)15-13(16)17-12-4-2-1-3-5-12/h1-9H,(H,15,16)/i14-4.
What are the key properties of phenyl N-(4-iodophenyl)carbamate?
phenyl N-(4-iodophenyl)carbamate has a molecular weight of 335.13 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-iodophenyl)carbamate is sourced from PubChem (CID 73442286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).