[2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate

C15H13FINO2 — CID 122373631

IUPAC[2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(I)cccc1-c1ccc(F)cc1
InChIInChI=1S/C15H13FINO2/c1-18(2)15(19)20-14-12(4-3-5-13(14)17)10-6-8-11(16)9-7-10/h3-9H,1-2H3
InChIKeyJHMUUPOJDQGPBX-UHFFFAOYSA-N
MW385.18 g/mol
LogP4.16
Rot. Bonds2

About [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate

[2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate (PubChem CID 122373631) has the molecular formula C15H13FINO2 and a molecular weight of 385.18 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate
PubChem CID122373631
Molecular FormulaC15H13FINO2
Molecular Weight385.18 g/mol
Exact Mass385.00
IUPAC Name[2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(I)cccc1-c1ccc(F)cc1
InChIInChI=1S/C15H13FINO2/c1-18(2)15(19)20-14-12(4-3-5-13(14)17)10-6-8-11(16)9-7-10/h3-9H,1-2H3
InChIKeyJHMUUPOJDQGPBX-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[2-(4-fluorophenyl)phenyl] N,N-di(propan-2-yl)carbamate
CID 101050040
(2-amino-6-methylphenyl) N,N-dimethylcarbamate
CID 131207405
1-[2-fluoro-6-(4-fluorophenyl)phenyl]ethanone
CID 175686731
1-iodo-2-methoxy-3-phenylbenzene
CID 164896113
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
5-(4-fluorophenyl)naphthalen-1-amine
CID 172677714
9-(4-fluorophenyl)-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-one
CID 132501805
[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
CID 24836204
bis[2-(4-fluorophenyl)phenyl]methanone
CID 141033453
4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 142725170
[2-(4-fluorophenyl)-6-propan-2-ylphenyl] formate
CID 19004388
2-[2-(4-fluorophenyl)-N-methylanilino]acetamide
CID 54226152

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate?
The IUPAC name of [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate (CID 122373631) is [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate?
The canonical SMILES for [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1c(I)cccc1-c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate?
The InChIKey is JHMUUPOJDQGPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FINO2/c1-18(2)15(19)20-14-12(4-3-5-13(14)17)10-6-8-11(16)9-7-10/h3-9H,1-2H3.
What are the key properties of [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate?
[2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate has a molecular weight of 385.18 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-6-iodophenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 122373631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).