2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

C18H25BrN2O — CID 3608983

IUPAC2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H25BrN2O/c1-4-18(2,3)13-9-11-14(12-10-13)20-21-17(22)15-7-5-6-8-16(15)19/h5-8,13H,4,9-12H2,1-3H3,(H,21,22)/b20-14-
InChIKeyLEJMYVCFRAXARN-ZHZULCJRSA-N
MW365.32 g/mol
LogP5.16
Rot. Bonds4

About 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (PubChem CID 3608983) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
PubChem CID3608983
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C18H25BrN2O/c1-4-18(2,3)13-9-11-14(12-10-13)20-21-17(22)15-7-5-6-8-16(15)19/h5-8,13H,4,9-12H2,1-3H3,(H,21,22)/b20-14-
InChIKeyLEJMYVCFRAXARN-ZHZULCJRSA-N
XLogP5.16
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.32
LogP ≤ 55.16
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 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The IUPAC name of 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (CID 3608983) is 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.
What is the SMILES notation for 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The canonical SMILES for 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The InChIKey is LEJMYVCFRAXARN-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-4-18(2,3)13-9-11-14(12-10-13)20-21-17(22)15-7-5-6-8-16(15)19/h5-8,13H,4,9-12H2,1-3H3,(H,21,22)/b20-14-.
What are the key properties of 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide has a molecular weight of 365.32 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is sourced from PubChem (CID 3608983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).