[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate

C14H10BrClN2O2 — CID 2869302

IUPAC[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
SMILESNC(=NOC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrClN2O2/c15-11-5-1-9(2-6-11)13(17)18-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H2,17,18)
InChIKeyXZGQGIQFLVUWGO-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.58
Rot. Bonds3

About [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate

[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate (PubChem CID 2869302) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate.

Molecular Properties

Compound Name[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
PubChem CID2869302
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
SMILESNC(=NOC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrClN2O2/c15-11-5-1-9(2-6-11)13(17)18-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H2,17,18)
InChIKeyXZGQGIQFLVUWGO-UHFFFAOYSA-N
XLogP3.58
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.58
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

[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 5372333
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-methylbenzoate
CID 5344837
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[[amino-(4-chlorophenyl)methylidene]amino] 4-iodobenzoate
CID 2890265
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885364
[(Z)-[amino-[4-(2-amino-2-oxoethoxy)phenyl]methylidene]amino] 4-bromobenzoate
CID 19298217
[[amino-[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl]methylidene]amino] 4-chlorobenzoate
CID 2746727
[[amino-(4-chlorophenyl)methylidene]amino] naphthalene-2-carboxylate
CID 2903183
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 3-fluorobenzoate
CID 5344873
(propan-2-ylideneamino) 4-bromobenzoate
CID 708182
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734

Frequently Asked Questions

What is the IUPAC name of [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate?
The IUPAC name of [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate (CID 2869302) is [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate.
What is the SMILES notation for [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate?
The canonical SMILES for [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate is NC(=NOC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1.
What is the InChIKey of [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate?
The InChIKey is XZGQGIQFLVUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-11-5-1-9(2-6-11)13(17)18-20-14(19)10-3-7-12(16)8-4-10/h1-8H,(H2,17,18).
What are the key properties of [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate?
[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate has a molecular weight of 353.60 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate is sourced from PubChem (CID 2869302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).