4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide

C13H17BrN2O — CID 3098198

IUPAC4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide
SMILESCC(CC(C)C)=NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-9(2)8-10(3)15-16-13(17)11-4-6-12(14)7-5-11/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyJTWYTIBNPJDRFC-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.60
Rot. Bonds4

About 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide

4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide (PubChem CID 3098198) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide
PubChem CID3098198
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide
SMILESCC(CC(C)C)=NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-9(2)8-10(3)15-16-13(17)11-4-6-12(14)7-5-11/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyJTWYTIBNPJDRFC-UHFFFAOYSA-N
XLogP3.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.60
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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Related Compounds

N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
4-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
N-[1-(4-bromophenyl)ethylideneamino]-4-(2-methylpropoxy)benzamide
CID 4929974
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-4-chlorobenzamide
CID 3481558
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
CID 5399430
4-bromo-N-(2-methylpropoxy)benzamide
CID 115410038
4-bromo-N-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]benzamide
CID 6382480
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 6085415
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide?
The IUPAC name of 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide (CID 3098198) is 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide?
The canonical SMILES for 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide is CC(CC(C)C)=NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide?
The InChIKey is JTWYTIBNPJDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9(2)8-10(3)15-16-13(17)11-4-6-12(14)7-5-11/h4-7,9H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide?
4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide has a molecular weight of 297.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methylpentan-2-ylideneamino)benzamide is sourced from PubChem (CID 3098198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).