[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate

C14H9Cl3N2O2 — CID 5349309

IUPAC[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate
SMILESN/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl3N2O2/c15-9-3-1-8(2-4-9)13(18)19-21-14(20)11-6-5-10(16)7-12(11)17/h1-7H,(H2,18,19)
InChIKeyONMJCLPUHLOIPE-UHFFFAOYSA-N
MW343.60 g/mol
LogP4.12
Rot. Bonds3

About [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate

[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate (PubChem CID 5349309) has the molecular formula C14H9Cl3N2O2 and a molecular weight of 343.60 g/mol. Its IUPAC name is [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate
PubChem CID5349309
Molecular FormulaC14H9Cl3N2O2
Molecular Weight343.60 g/mol
Exact Mass341.97
IUPAC Name[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate
SMILESN/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C14H9Cl3N2O2/c15-9-3-1-8(2-4-9)13(18)19-21-14(20)11-6-5-10(16)7-12(11)17/h1-7H,(H2,18,19)
InChIKeyONMJCLPUHLOIPE-UHFFFAOYSA-N
XLogP4.12
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(benzyloxy)-2,4-dichlorobenzamide
CID 11460648
N'-[(2,4-dichlorobenzoyl)oxy]-3-methylbenzenecarboximidamide
CID 5349217
(1Z)-2-(2,4-dichlorophenyl)-N'-{[(2-fluorophenyl)carbonyl]oxy}ethanimidamide
CID 9587500
N'-[(2-chloro-4-methylbenzoyl)oxy]-3-methylbenzenecarboximidamide
CID 9586795
4-chloro-N'-[(3-methylbenzoyl)oxy]benzenecarboximidamide
CID 5344886
4-chloro-N'-[(4-chlorobenzoyl)oxy]benzenecarboximidamide
CID 9567277
N'-[(2-chlorobenzoyl)oxy]benzenecarboximidamide
CID 5332683
2-(2,4-dichlorophenyl)-N'-[(phenylacetyl)oxy]ethanimidamide
CID 9587475
(1Z)-N'-{[(4-chlorophenyl)acetyl]oxy}-2-(2,4-dichlorophenyl)ethanimidamide
CID 9594348
4-chloro-N'-[(2-fluorobenzoyl)oxy]benzenecarboximidamide
CID 5344799
[[Amino-(4-chlorophenyl)methylidene]amino] 2,6-difluorobenzoate
CID 2803953
N'-(benzoyloxy)benzenecarboximidamide
CID 258595

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate?
The IUPAC name of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate (CID 5349309) is [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate.
What is the SMILES notation for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate?
The canonical SMILES for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate is N/C(=N\OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate?
The InChIKey is ONMJCLPUHLOIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O2/c15-9-3-1-8(2-4-9)13(18)19-21-14(20)11-6-5-10(16)7-12(11)17/h1-7H,(H2,18,19).
What are the key properties of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate?
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate has a molecular weight of 343.60 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 2,4-dichlorobenzoate is sourced from PubChem (CID 5349309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).