4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide

C16H14BrN3O2 — CID 67494163

IUPAC4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
SMILESCc1ccc(C=NNC(=O)c2cc(Br)ccc2C(N)=O)cc1
InChIInChI=1S/C16H14BrN3O2/c1-10-2-4-11(5-3-10)9-19-20-16(22)14-8-12(17)6-7-13(14)15(18)21/h2-9H,1H3,(H2,18,21)(H,20,22)
InChIKeyALKBIXDWBVMPTC-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.62
Rot. Bonds4

About 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide

4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide (PubChem CID 67494163) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
PubChem CID67494163
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide
SMILESCc1ccc(C=NNC(=O)c2cc(Br)ccc2C(N)=O)cc1
InChIInChI=1S/C16H14BrN3O2/c1-10-2-4-11(5-3-10)9-19-20-16(22)14-8-12(17)6-7-13(14)15(18)21/h2-9H,1H3,(H2,18,21)(H,20,22)
InChIKeyALKBIXDWBVMPTC-UHFFFAOYSA-N
XLogP2.62
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-bromo-2-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 867247
2-amino-5-bromo-N-[(3-methylphenyl)methylideneamino]benzamide
CID 67494279
4-bromo-2-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135511247
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
3,5-dibromo-N-[(E)-(4-bromophenyl)methylideneamino]-2-hydroxybenzamide
CID 5331660
2-chloro-4-methyl-N-(pyridin-4-ylmethylideneamino)benzamide
CID 71952051
4-chloro-2-N-[(4-fluorophenyl)methylideneamino]benzene-1,2-dicarboxamide
CID 67494565
N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6248388
5-bromo-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 136843558
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
5-bromo-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136843544
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-2-methoxy-4-methylbenzamide
CID 126193582

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide?
The IUPAC name of 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide (CID 67494163) is 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide.
What is the SMILES notation for 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide?
The canonical SMILES for 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide is Cc1ccc(C=NNC(=O)c2cc(Br)ccc2C(N)=O)cc1.
What is the InChIKey of 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide?
The InChIKey is ALKBIXDWBVMPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-10-2-4-11(5-3-10)9-19-20-16(22)14-8-12(17)6-7-13(14)15(18)21/h2-9H,1H3,(H2,18,21)(H,20,22).
What are the key properties of 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide?
4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide has a molecular weight of 360.21 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-[(4-methylphenyl)methylideneamino]benzene-1,2-dicarboxamide is sourced from PubChem (CID 67494163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).