(4-carbamoylphenyl) 3-iodobenzoate

C14H10INO3 — CID 8803284

IUPAC(4-carbamoylphenyl) 3-iodobenzoate
SMILESNC(=O)c1ccc(OC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C14H10INO3/c15-11-3-1-2-10(8-11)14(18)19-12-6-4-9(5-7-12)13(16)17/h1-8H,(H2,16,17)
InChIKeyAREZDUTZBXQVLQ-UHFFFAOYSA-N
MW367.14 g/mol
LogP2.61
Rot. Bonds3

About (4-carbamoylphenyl) 3-iodobenzoate

(4-carbamoylphenyl) 3-iodobenzoate (PubChem CID 8803284) has the molecular formula C14H10INO3 and a molecular weight of 367.14 g/mol. Its IUPAC name is (4-carbamoylphenyl) 3-iodobenzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl) 3-iodobenzoate
PubChem CID8803284
Molecular FormulaC14H10INO3
Molecular Weight367.14 g/mol
Exact Mass366.97
IUPAC Name(4-carbamoylphenyl) 3-iodobenzoate
SMILESNC(=O)c1ccc(OC(=O)c2cccc(I)c2)cc1
InChIInChI=1S/C14H10INO3/c15-11-3-1-2-10(8-11)14(18)19-12-6-4-9(5-7-12)13(16)17/h1-8H,(H2,16,17)
InChIKeyAREZDUTZBXQVLQ-UHFFFAOYSA-N
XLogP2.61
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.14
LogP ≤ 52.61
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-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 3-iodobenzoate
CID 126188973
(4-carbamoylphenyl) 4-(aminomethyl)benzoate
CID 166334939
2,6-diiodo-4-(3-iodobenzoyl)oxybenzenesulfonic acid
CID 177131777
(4-acetylphenyl) 3-acetylbenzoate
CID 58763507
1-(3-iodophenyl)-2-[4-[2-(3-iodophenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione
CID 2850310
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
(3-carbamoylphenyl) 4-fluorobenzoate
CID 47175809
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
benzene-1,3-dicarboxylic acid;4-iodobenzamide
CID 175089771
(4-carbamoylphenyl) 4-cyanobenzoate
CID 8803287
(4-methylphenyl) 3-(carbamoylamino)benzoate
CID 47098186
(4-iodophenyl) 3-butoxybenzoate
CID 17086611

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl) 3-iodobenzoate?
The IUPAC name of (4-carbamoylphenyl) 3-iodobenzoate (CID 8803284) is (4-carbamoylphenyl) 3-iodobenzoate.
What is the SMILES notation for (4-carbamoylphenyl) 3-iodobenzoate?
The canonical SMILES for (4-carbamoylphenyl) 3-iodobenzoate is NC(=O)c1ccc(OC(=O)c2cccc(I)c2)cc1.
What is the InChIKey of (4-carbamoylphenyl) 3-iodobenzoate?
The InChIKey is AREZDUTZBXQVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INO3/c15-11-3-1-2-10(8-11)14(18)19-12-6-4-9(5-7-12)13(16)17/h1-8H,(H2,16,17).
What are the key properties of (4-carbamoylphenyl) 3-iodobenzoate?
(4-carbamoylphenyl) 3-iodobenzoate has a molecular weight of 367.14 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl) 3-iodobenzoate is sourced from PubChem (CID 8803284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).