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

C18H25BrN2O — CID 4556862

IUPAC3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H25BrN2O/c1-4-18(2,3)14-8-10-16(11-9-14)20-21-17(22)13-6-5-7-15(19)12-13/h5-7,12,14H,4,8-11H2,1-3H3,(H,21,22)/b20-16-
InChIKeyUUFVSBCGPQDDCG-SILNSSARSA-N
MW365.32 g/mol
LogP5.16
Rot. Bonds4

About 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide

3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (PubChem CID 4556862) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
PubChem CID4556862
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
SMILESCCC(C)(C)C1CCC(=NNC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H25BrN2O/c1-4-18(2,3)14-8-10-16(11-9-14)20-21-17(22)13-6-5-7-15(19)12-13/h5-7,12,14H,4,8-11H2,1-3H3,(H,21,22)/b20-16-
InChIKeyUUFVSBCGPQDDCG-SILNSSARSA-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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Related Compounds

N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
2-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 3608983
2-fluoro-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 579792
3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
CID 5115371
3-methyl-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]-4-oxophthalazine-1-carboxamide
CID 9463217
3-bromo-N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]benzamide
CID 769816
2-(4-chlorophenoxy)-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]acetamide
CID 3437597
3-bromo-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23314749
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-(3-amino-2,2-dimethylpropyl)-3-bromobenzamide
CID 115267254
3-bromo-N-(3-hydroxy-2-methylbutan-2-yl)benzamide
CID 115884425
N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
CID 9233990

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The IUPAC name of 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide (CID 4556862) is 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide.
What is the SMILES notation for 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The canonical SMILES for 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is CCC(C)(C)C1CCC(=NNC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
The InChIKey is UUFVSBCGPQDDCG-SILNSSARSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-4-18(2,3)14-8-10-16(11-9-14)20-21-17(22)13-6-5-7-15(19)12-13/h5-7,12,14H,4,8-11H2,1-3H3,(H,21,22)/b20-16-.
What are the key properties of 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide?
3-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 3-bromo-N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide is sourced from PubChem (CID 4556862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).