4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide

C12H15BrN2O — CID 93116099

IUPAC4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide
SMILESCC(C)(C)/C=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-12(2,3)8-14-15-11(16)9-4-6-10(13)7-5-9/h4-8H,1-3H3,(H,15,16)/b14-8-
InChIKeyQCAVFRQDEWNVEC-ZSOIEALJSA-N
MW283.17 g/mol
LogP3.21
Rot. Bonds2

About 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide

4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide (PubChem CID 93116099) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide
PubChem CID93116099
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide
SMILESCC(C)(C)/C=N\NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O/c1-12(2,3)8-14-15-11(16)9-4-6-10(13)7-5-9/h4-8H,1-3H3,(H,15,16)/b14-8-
InChIKeyQCAVFRQDEWNVEC-ZSOIEALJSA-N
XLogP3.21
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide?
The IUPAC name of 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide (CID 93116099) is 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide.
What is the SMILES notation for 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide?
The canonical SMILES for 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide is CC(C)(C)/C=N\NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide?
The InChIKey is QCAVFRQDEWNVEC-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-12(2,3)8-14-15-11(16)9-4-6-10(13)7-5-9/h4-8H,1-3H3,(H,15,16)/b14-8-.
What are the key properties of 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide?
4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide has a molecular weight of 283.17 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(Z)-2,2-dimethylpropylideneamino]benzamide is sourced from PubChem (CID 93116099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).