2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide

C16H11BrClN3O2 — CID 7702033

IUPAC2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CO/N=C\c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClN3O2/c17-13-4-1-11(2-5-13)9-20-23-10-16(22)21-15-7-14(18)6-3-12(15)8-19/h1-7,9H,10H2,(H,21,22)/b20-9-
InChIKeyJMSANDPUWGITPI-UKWGHVSLSA-N
MW392.64 g/mol
LogP3.96
Rot. Bonds5

About 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide

2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide (PubChem CID 7702033) has the molecular formula C16H11BrClN3O2 and a molecular weight of 392.64 g/mol. Its IUPAC name is 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide
PubChem CID7702033
Molecular FormulaC16H11BrClN3O2
Molecular Weight392.64 g/mol
Exact Mass390.97
IUPAC Name2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CO/N=C\c1ccc(Br)cc1
InChIInChI=1S/C16H11BrClN3O2/c17-13-4-1-11(2-5-13)9-20-23-10-16(22)21-15-7-14(18)6-3-12(15)8-19/h1-7,9H,10H2,(H,21,22)/b20-9-
InChIKeyJMSANDPUWGITPI-UKWGHVSLSA-N
XLogP3.96
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504530
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663880
N-(4-bromo-2-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705663
2-[(E)-(4-bromophenyl)methylideneamino]oxyacetohydrazide
CID 23004809
N-(3-chloro-4-cyanophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669907
N-(5-bromo-2-cyanophenyl)-2-(3-chlorophenyl)acetamide
CID 104880434
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] benzoate
CID 2517138
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
N-(5-chloro-2-methoxyphenyl)-2-[(E)-(3,4-dichlorophenyl)methylideneamino]oxyacetamide
CID 42967676
N-(2,5-dichlorophenyl)-2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7668894
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
N-(4-bromophenyl)-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80710351

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide?
The IUPAC name of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide (CID 7702033) is 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide?
The canonical SMILES for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide is N#Cc1ccc(Cl)cc1NC(=O)CO/N=C\c1ccc(Br)cc1.
What is the InChIKey of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide?
The InChIKey is JMSANDPUWGITPI-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H11BrClN3O2/c17-13-4-1-11(2-5-13)9-20-23-10-16(22)21-15-7-14(18)6-3-12(15)8-19/h1-7,9H,10H2,(H,21,22)/b20-9-.
What are the key properties of 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide?
2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide has a molecular weight of 392.64 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(5-chloro-2-cyanophenyl)acetamide is sourced from PubChem (CID 7702033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).