N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide

C15H10BrCl2N3O2 — CID 19577991

IUPACN'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10BrCl2N3O2/c16-10-3-1-9(2-4-10)8-19-21-15(23)14(22)20-13-7-11(17)5-6-12(13)18/h1-8H,(H,20,22)(H,21,23)/b19-8+
InChIKeyTWXUOBXLJUZHAY-UFWORHAWSA-N
MW415.07 g/mol
LogP3.84
Rot. Bonds3

About N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide

N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide (PubChem CID 19577991) has the molecular formula C15H10BrCl2N3O2 and a molecular weight of 415.07 g/mol. Its IUPAC name is N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
PubChem CID19577991
Molecular FormulaC15H10BrCl2N3O2
Molecular Weight415.07 g/mol
Exact Mass412.93
IUPAC NameN'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide
SMILESO=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H10BrCl2N3O2/c16-10-3-1-9(2-4-10)8-19-21-15(23)14(22)20-13-7-11(17)5-6-12(13)18/h1-8H,(H,20,22)(H,21,23)/b19-8+
InChIKeyTWXUOBXLJUZHAY-UFWORHAWSA-N
XLogP3.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

CID 6871246
CID 6871246
CID 71699767
CID 71699767
CID 9655234
CID 9655234
CID 5331272
CID 5331272
CID 6874232
CID 6874232
CID 9635224
CID 9635224
CID 9661749
CID 9661749
CID 71699768
CID 71699768
CID 71699769
CID 71699769
CID 86575735
CID 86575735
CID 5339198
CID 5339198
CID 9597106
CID 9597106

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide?
The IUPAC name of N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide (CID 19577991) is N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide?
The canonical SMILES for N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide is O=C(N/N=C/c1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide?
The InChIKey is TWXUOBXLJUZHAY-UFWORHAWSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O2/c16-10-3-1-9(2-4-10)8-19-21-15(23)14(22)20-13-7-11(17)5-6-12(13)18/h1-8H,(H,20,22)(H,21,23)/b19-8+.
What are the key properties of N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide?
N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide has a molecular weight of 415.07 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)oxamide is sourced from PubChem (CID 19577991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).