[(4-chlorobenzoyl)amino] 3-iodobenzoate

C14H9ClINO3 — CID 1356962

IUPAC[(4-chlorobenzoyl)amino] 3-iodobenzoate
SMILESO=C(NOC(=O)c1cccc(I)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClINO3/c15-11-6-4-9(5-7-11)13(18)17-20-14(19)10-2-1-3-12(16)8-10/h1-8H,(H,17,18)
InChIKeyLUNVKCIHRMBGOJ-UHFFFAOYSA-N
MW401.59 g/mol
LogP3.45
Rot. Bonds2

About [(4-chlorobenzoyl)amino] 3-iodobenzoate

[(4-chlorobenzoyl)amino] 3-iodobenzoate (PubChem CID 1356962) has the molecular formula C14H9ClINO3 and a molecular weight of 401.59 g/mol. Its IUPAC name is [(4-chlorobenzoyl)amino] 3-iodobenzoate.

Molecular Properties

Compound Name[(4-chlorobenzoyl)amino] 3-iodobenzoate
PubChem CID1356962
Molecular FormulaC14H9ClINO3
Molecular Weight401.59 g/mol
Exact Mass400.93
IUPAC Name[(4-chlorobenzoyl)amino] 3-iodobenzoate
SMILESO=C(NOC(=O)c1cccc(I)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClINO3/c15-11-6-4-9(5-7-11)13(18)17-20-14(19)10-2-1-3-12(16)8-10/h1-8H,(H,17,18)
InChIKeyLUNVKCIHRMBGOJ-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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Related Compounds

N-(benzyloxy)-4-chlorobenzamide
CID 4990600
N-(benzyloxy)-2,4-dichlorobenzamide
CID 11460648
4-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 19581648
N-(2-bromobenzoyloxy)-4-chlorobenzamide
CID 1348789
2-chloro-N-[(4-methylbenzyl)oxy]benzamide
CID 5243837
Dibenzhydroxamic acid
CID 94873
4-chloro-N'-[(3-methylbenzoyl)oxy]benzenecarboximidamide
CID 5344886
4-chloro-N'-[(4-chlorobenzoyl)oxy]benzenecarboximidamide
CID 9567277
[(3,4-Dichlorobenzoyl)amino] 2-chloro-6-fluorobenzoate
CID 2804334
4-chloro-N'-[(2-fluorobenzoyl)oxy]benzenecarboximidamide
CID 5344799
4-chloro-N'-[(2-chlorobenzoyl)oxy]benzenecarboximidamide
CID 9567272
N-(Acetyloxy)-N-((4-chlorophenyl)methoxy)benzamide
CID 3025743

Frequently Asked Questions

What is the IUPAC name of [(4-chlorobenzoyl)amino] 3-iodobenzoate?
The IUPAC name of [(4-chlorobenzoyl)amino] 3-iodobenzoate (CID 1356962) is [(4-chlorobenzoyl)amino] 3-iodobenzoate.
What is the SMILES notation for [(4-chlorobenzoyl)amino] 3-iodobenzoate?
The canonical SMILES for [(4-chlorobenzoyl)amino] 3-iodobenzoate is O=C(NOC(=O)c1cccc(I)c1)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorobenzoyl)amino] 3-iodobenzoate?
The InChIKey is LUNVKCIHRMBGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClINO3/c15-11-6-4-9(5-7-11)13(18)17-20-14(19)10-2-1-3-12(16)8-10/h1-8H,(H,17,18).
What are the key properties of [(4-chlorobenzoyl)amino] 3-iodobenzoate?
[(4-chlorobenzoyl)amino] 3-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] 3-iodobenzoate is sourced from PubChem (CID 1356962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).