[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate

C16H14INO3 — CID 129292859

IUPAC[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate
SMILESCC(=O)Oc1ccc(C)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H14INO3/c1-10-3-8-15(21-11(2)19)14(9-10)16(20)18-13-6-4-12(17)5-7-13/h3-9H,1-2H3,(H,18,20)
InChIKeyRFFKBUOZPVHDSU-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.78
Rot. Bonds3

About [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate

[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate (PubChem CID 129292859) has the molecular formula C16H14INO3 and a molecular weight of 395.20 g/mol. Its IUPAC name is [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate.

Molecular Properties

Compound Name[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate
PubChem CID129292859
Molecular FormulaC16H14INO3
Molecular Weight395.20 g/mol
Exact Mass395.00
IUPAC Name[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate
SMILESCC(=O)Oc1ccc(C)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C16H14INO3/c1-10-3-8-15(21-11(2)19)14(9-10)16(20)18-13-6-4-12(17)5-7-13/h3-9H,1-2H3,(H,18,20)
InChIKeyRFFKBUOZPVHDSU-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
CID 3361929
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566
2-iodo-N-(4-iodophenyl)-4-methylbenzamide
CID 100523539
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
CID 9043924
N-(4-iodophenyl)-5-methyl-2-(propylamino)benzamide
CID 63499323
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
CID 3361206
2-[(4-iodophenyl)carbamoylamino]-5-methylbenzoic acid
CID 63549498
2-methoxy-5-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106910011
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
CID 114299336

Frequently Asked Questions

What is the IUPAC name of [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate?
The IUPAC name of [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate (CID 129292859) is [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate.
What is the SMILES notation for [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate?
The canonical SMILES for [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate is CC(=O)Oc1ccc(C)cc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate?
The InChIKey is RFFKBUOZPVHDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14INO3/c1-10-3-8-15(21-11(2)19)14(9-10)16(20)18-13-6-4-12(17)5-7-13/h3-9H,1-2H3,(H,18,20).
What are the key properties of [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate?
[2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate has a molecular weight of 395.20 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-iodophenyl)carbamoyl]-4-methylphenyl] acetate is sourced from PubChem (CID 129292859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).