N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide

C14H16BrN3O4 — CID 8896947

IUPACN'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C14H16BrN3O4/c1-21-11-5-8(10(15)6-12(11)22-2)7-16-18-14(20)13(19)17-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,17,19)(H,18,20)/b16-7-
InChIKeyVMXFRGGLHRGDNB-APSNUPSMSA-N
MW370.20 g/mol
LogP1.20
Rot. Bonds5

About N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide (PubChem CID 8896947) has the molecular formula C14H16BrN3O4 and a molecular weight of 370.20 g/mol. Its IUPAC name is N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
PubChem CID8896947
Molecular FormulaC14H16BrN3O4
Molecular Weight370.20 g/mol
Exact Mass369.03
IUPAC NameN'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESCOc1cc(Br)c(/C=N\NC(=O)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C14H16BrN3O4/c1-21-11-5-8(10(15)6-12(11)22-2)7-16-18-14(20)13(19)17-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,17,19)(H,18,20)/b16-7-
InChIKeyVMXFRGGLHRGDNB-APSNUPSMSA-N
XLogP1.20
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931721
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 954154
N-cyclopropyl-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 6150186
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-cyclopropyl-N'-[(Z)-(7-methoxy-1,3-benzodioxol-5-yl)methylideneamino]oxamide
CID 9352723
N-cyclopropyl-N'-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]oxamide
CID 9352689
N'-[(Z)-[5-bromo-2-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-cyclopropyloxamide
CID 126263711
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-chloro-2-methoxybenzamide
CID 6737092

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide (CID 8896947) is N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide is COc1cc(Br)c(/C=N\NC(=O)C(=O)NC2CC2)cc1OC.
What is the InChIKey of N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The InChIKey is VMXFRGGLHRGDNB-APSNUPSMSA-N. The full InChI is InChI=1S/C14H16BrN3O4/c1-21-11-5-8(10(15)6-12(11)22-2)7-16-18-14(20)13(19)17-9-3-4-9/h5-7,9H,3-4H2,1-2H3,(H,17,19)(H,18,20)/b16-7-.
What are the key properties of N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide has a molecular weight of 370.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 8896947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).