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

C15H12INO3 — CID 3361929

IUPAC[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H12INO3/c1-10(18)20-14-5-3-2-4-13(14)15(19)17-12-8-6-11(16)7-9-12/h2-9H,1H3,(H,17,19)
InChIKeyPDIBHIPJJHMLAE-UHFFFAOYSA-N
MW381.17 g/mol
LogP3.47
Rot. Bonds3

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

[2-[(4-iodophenyl)carbamoyl]phenyl] acetate (PubChem CID 3361929) has the molecular formula C15H12INO3 and a molecular weight of 381.17 g/mol. Its IUPAC name is [2-[(4-iodophenyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
PubChem CID3361929
Molecular FormulaC15H12INO3
Molecular Weight381.17 g/mol
Exact Mass380.99
IUPAC Name[2-[(4-iodophenyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C15H12INO3/c1-10(18)20-14-5-3-2-4-13(14)15(19)17-12-8-6-11(16)7-9-12/h2-9H,1H3,(H,17,19)
InChIKeyPDIBHIPJJHMLAE-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 53.47
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]-4-methylphenyl] acetate
CID 129292859
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
5-[(2-acetyloxybenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 123212588
[2-[(2,3-dichlorophenyl)carbamoyl]phenyl] acetate
CID 3368365
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
[2-[(2-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 720313
[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1292592
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
CID 3361206
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
[2-(methoxycarbamoyl)phenyl] acetate
CID 59130426
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479

Frequently Asked Questions

What is the IUPAC name of [2-[(4-iodophenyl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(4-iodophenyl)carbamoyl]phenyl] acetate (CID 3361929) is [2-[(4-iodophenyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(4-iodophenyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(4-iodophenyl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of [2-[(4-iodophenyl)carbamoyl]phenyl] acetate?
The InChIKey is PDIBHIPJJHMLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12INO3/c1-10(18)20-14-5-3-2-4-13(14)15(19)17-12-8-6-11(16)7-9-12/h2-9H,1H3,(H,17,19).
What are the key properties of [2-[(4-iodophenyl)carbamoyl]phenyl] acetate?
[2-[(4-iodophenyl)carbamoyl]phenyl] acetate has a molecular weight of 381.17 g/mol, XLogP of 3.47, 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]phenyl] acetate is sourced from PubChem (CID 3361929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).