[[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate

C20H16Cl2N2O4 — CID 123482367

IUPAC[[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate
SMILESO=C(ONC1=CCCC=C1NOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N2O4/c21-15-9-5-13(6-10-15)19(25)27-23-17-3-1-2-4-18(17)24-28-20(26)14-7-11-16(22)12-8-14/h3-12,23-24H,1-2H2
InChIKeyJXKACYMHKCCRMV-UHFFFAOYSA-N
MW419.26 g/mol
LogP4.58
Rot. Bonds6

About [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate

[[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate (PubChem CID 123482367) has the molecular formula C20H16Cl2N2O4 and a molecular weight of 419.26 g/mol. Its IUPAC name is [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate.

Molecular Properties

Compound Name[[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate
PubChem CID123482367
Molecular FormulaC20H16Cl2N2O4
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC Name[[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate
SMILESO=C(ONC1=CCCC=C1NOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N2O4/c21-15-9-5-13(6-10-15)19(25)27-23-17-3-1-2-4-18(17)24-28-20(26)14-7-11-16(22)12-8-14/h3-12,23-24H,1-2H2
InChIKeyJXKACYMHKCCRMV-UHFFFAOYSA-N
XLogP4.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate with MolForge

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Related Compounds

(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
chloro 4-chlorobenzoate
CID 67325757
[[(E)-1-chloro-3-oxobut-1-en-2-yl]amino] 4-chlorobenzoate
CID 117061825
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
[bis[(4-chlorobenzoyl)oxy]methoxy-(4-chlorobenzoyl)oxymethyl] 4-chlorobenzoate
CID 146494079
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate;dioxane-3,6-dione
CID 161141963
4-chloro-N-hydroxybenzamide
CID 587178
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
dimethylamino 4-chlorobenzoate
CID 134848983
[(4-chlorobenzoyl)amino] 4-[hydroxy(oxido)amino]benzoate
CID 21141928
(2,6-dichloroanilino) benzoate;hydrochloride
CID 174870620
[1,2-bis(4-chlorophenyl)-2-oxoethyl] 4-chlorobenzoate
CID 11362139

Frequently Asked Questions

What is the IUPAC name of [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate?
The IUPAC name of [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate (CID 123482367) is [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate.
What is the SMILES notation for [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate?
The canonical SMILES for [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate is O=C(ONC1=CCCC=C1NOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate?
The InChIKey is JXKACYMHKCCRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4/c21-15-9-5-13(6-10-15)19(25)27-23-17-3-1-2-4-18(17)24-28-20(26)14-7-11-16(22)12-8-14/h3-12,23-24H,1-2H2.
What are the key properties of [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate?
[[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate has a molecular weight of 419.26 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[6-[(4-chlorobenzoyl)oxyamino]cyclohexa-1,5-dien-1-yl]amino] 4-chlorobenzoate is sourced from PubChem (CID 123482367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).