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

C11H13ClINO2 — CID 107640719

IUPAC2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
SMILESCC(C)COC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H13ClINO2/c1-7(2)6-16-11(15)14-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyJSEWWKBAPXTNDD-UHFFFAOYSA-N
MW353.59 g/mol
LogP4.15
Rot. Bonds3

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

2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate (PubChem CID 107640719) has the molecular formula C11H13ClINO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
PubChem CID107640719
Molecular FormulaC11H13ClINO2
Molecular Weight353.59 g/mol
Exact Mass352.97
IUPAC Name2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate
SMILESCC(C)COC(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C11H13ClINO2/c1-7(2)6-16-11(15)14-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyJSEWWKBAPXTNDD-UHFFFAOYSA-N
XLogP4.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 54.15
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

methyl N-(4-chloro-2-iodophenyl)carbamate
CID 103767047
2-methylpropyl N-(2-iodophenyl)carbamate
CID 546432
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832
2-methylpropyl N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]carbamate
CID 77050359
2-chloro-N-(4-chloro-2-iodophenyl)propanamide
CID 103881715
2-bromo-N-(4-chloro-2-iodophenyl)propanamide
CID 107906024
N-(4-chloro-2-iodophenyl)-2-sulfanylpropanamide
CID 107638389
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
2-chloro-N-[(4-chloro-2-iodophenyl)carbamoyl]propanamide
CID 107636895
2-(4-chloro-2-iodoanilino)-N-(2-methylpropyl)propanamide
CID 107635388
1-amino-3-(4-chloro-2-iodophenyl)urea
CID 107629399

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate?
The IUPAC name of 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate (CID 107640719) is 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate is CC(C)COC(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate?
The InChIKey is JSEWWKBAPXTNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO2/c1-7(2)6-16-11(15)14-10-4-3-8(12)5-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate?
2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate has a molecular weight of 353.59 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-chloro-2-iodophenyl)carbamate is sourced from PubChem (CID 107640719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).