[(4-chlorobenzoyl)amino] 2-iodobenzoate

C14H9ClINO3 — CID 1372687

IUPAC[(4-chlorobenzoyl)amino] 2-iodobenzoate
SMILESO=C(NOC(=O)c1ccccc1I)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClINO3/c15-10-7-5-9(6-8-10)13(18)17-20-14(19)11-3-1-2-4-12(11)16/h1-8H,(H,17,18)
InChIKeyNYBNABDRBKDRDC-UHFFFAOYSA-N
MW401.59 g/mol
LogP3.45
Rot. Bonds2

About [(4-chlorobenzoyl)amino] 2-iodobenzoate

[(4-chlorobenzoyl)amino] 2-iodobenzoate (PubChem CID 1372687) has the molecular formula C14H9ClINO3 and a molecular weight of 401.59 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 2-iodobenzoate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 2-iodobenzoate
PubChem CID1372687
Molecular FormulaC14H9ClINO3
Molecular Weight401.59 g/mol
Exact Mass400.93
IUPAC Name[(4-chlorobenzoyl)amino] 2-iodobenzoate
SMILESO=C(NOC(=O)c1ccccc1I)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClINO3/c15-10-7-5-9(6-8-10)13(18)17-20-14(19)11-3-1-2-4-12(11)16/h1-8H,(H,17,18)
InChIKeyNYBNABDRBKDRDC-UHFFFAOYSA-N
XLogP3.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino] 2-iodobenzoate?
The IUPAC name of [(4-chlorobenzoyl)amino] 2-iodobenzoate (CID 1372687) is [(4-chlorobenzoyl)amino] 2-iodobenzoate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 2-iodobenzoate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 2-iodobenzoate is O=C(NOC(=O)c1ccccc1I)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 2-iodobenzoate?
The InChIKey is NYBNABDRBKDRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClINO3/c15-10-7-5-9(6-8-10)13(18)17-20-14(19)11-3-1-2-4-12(11)16/h1-8H,(H,17,18).
What are the key properties of [(4-chlorobenzoyl)amino] 2-iodobenzoate?
[(4-chlorobenzoyl)amino] 2-iodobenzoate has a molecular weight of 401.59 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorobenzoyl)amino] 2-iodobenzoate is sourced from PubChem (CID 1372687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).