N-(4-bromo-2-iodophenyl)carbamate

C7H4BrINO2- — CID 23023627

IUPACN-(4-bromo-2-iodophenyl)carbamate
SMILESO=C([O-])Nc1ccc(Br)cc1I
InChIInChI=1S/C7H5BrINO2/c8-4-1-2-6(5(9)3-4)10-7(11)12/h1-3,10H,(H,11,12)/p-1
InChIKeyDEBHZLCISAEHFI-UHFFFAOYSA-M
MW340.92 g/mol
LogP1.81
Rot. Bonds1

About N-(4-bromo-2-iodophenyl)carbamate

N-(4-bromo-2-iodophenyl)carbamate (PubChem CID 23023627) has the molecular formula C7H4BrINO2- and a molecular weight of 340.92 g/mol. Its IUPAC name is N-(4-bromo-2-iodophenyl)carbamate.

Molecular Properties

Compound NameN-(4-bromo-2-iodophenyl)carbamate
PubChem CID23023627
Molecular FormulaC7H4BrINO2-
Molecular Weight340.92 g/mol
Exact Mass339.85
IUPAC NameN-(4-bromo-2-iodophenyl)carbamate
SMILESO=C([O-])Nc1ccc(Br)cc1I
InChIInChI=1S/C7H5BrINO2/c8-4-1-2-6(5(9)3-4)10-7(11)12/h1-3,10H,(H,11,12)/p-1
InChIKeyDEBHZLCISAEHFI-UHFFFAOYSA-M
XLogP1.81
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 51.81
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

4-bromo-N-(4-bromo-2-iodophenyl)benzamide
CID 3934518
N-(4-bromo-2-iodophenyl)benzamide
CID 3321693
N-(4-bromo-2-iodophenyl)-3-methylbutanamide
CID 4008135
4-bromo-N-[(4-bromo-2-iodophenyl)carbamothioyl]benzamide
CID 4212705
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639
N-(4-bromo-2-iodophenyl)-2-(4-bromophenoxy)acetamide
CID 3967654
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
3-(4-bromo-2-iodoanilino)propanoic acid
CID 131118680
3,5-dibromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 3452845
2-(4-bromophenyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79765971
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-chlorobenzamide
CID 4263729
N-(4-bromo-2-iodophenyl)-4-propoxybenzamide
CID 3888317

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-iodophenyl)carbamate?
The IUPAC name of N-(4-bromo-2-iodophenyl)carbamate (CID 23023627) is N-(4-bromo-2-iodophenyl)carbamate.
What is the SMILES notation for N-(4-bromo-2-iodophenyl)carbamate?
The canonical SMILES for N-(4-bromo-2-iodophenyl)carbamate is O=C([O-])Nc1ccc(Br)cc1I.
What is the InChIKey of N-(4-bromo-2-iodophenyl)carbamate?
The InChIKey is DEBHZLCISAEHFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5BrINO2/c8-4-1-2-6(5(9)3-4)10-7(11)12/h1-3,10H,(H,11,12)/p-1.
What are the key properties of N-(4-bromo-2-iodophenyl)carbamate?
N-(4-bromo-2-iodophenyl)carbamate has a molecular weight of 340.92 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-iodophenyl)carbamate is sourced from PubChem (CID 23023627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).