4-bromo-N-(cyclohexylideneamino)benzamide

C13H15BrN2O — CID 786855

IUPAC4-bromo-N-(cyclohexylideneamino)benzamide
SMILESO=C(NN=C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h6-9H,1-5H2,(H,16,17)
InChIKeyMYANQCMUOIPHBP-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.50
Rot. Bonds2

About 4-bromo-N-(cyclohexylideneamino)benzamide

4-bromo-N-(cyclohexylideneamino)benzamide (PubChem CID 786855) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 4-bromo-N-(cyclohexylideneamino)benzamide.

Molecular Properties

Compound Name4-bromo-N-(cyclohexylideneamino)benzamide
PubChem CID786855
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name4-bromo-N-(cyclohexylideneamino)benzamide
SMILESO=C(NN=C1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H15BrN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h6-9H,1-5H2,(H,16,17)
InChIKeyMYANQCMUOIPHBP-UHFFFAOYSA-N
XLogP3.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.50
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

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CID 22219
UF010
CID 4596836
6-(4-Bromophenyl)-4,5-dihydropyridazin-3(2H)-one
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4-bromo-N'-propylbenzohydrazide
CID 71306437
Benzoic acid, 2-(1-methylethylidene)hydrazide
CID 18868
Benzoic acid, m-bromo-, benzoylhydrazide
CID 52256
N'-acetyl-4-bromobenzohydrazide
CID 99357
N'-(1-Phenylethylidene)benzohydrazide
CID 9574244
4-bromo-N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide
CID 1212491
3-bromo-N'-(1-methyl-4-pentenylidene)benzohydrazide
CID 5331459
3-bromo-N'-(1-methylpentylidene)benzohydrazide
CID 5331479
3-bromo-N'-cyclopentylidenebenzohydrazide
CID 792227

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclohexylideneamino)benzamide?
The IUPAC name of 4-bromo-N-(cyclohexylideneamino)benzamide (CID 786855) is 4-bromo-N-(cyclohexylideneamino)benzamide.
What is the SMILES notation for 4-bromo-N-(cyclohexylideneamino)benzamide?
The canonical SMILES for 4-bromo-N-(cyclohexylideneamino)benzamide is O=C(NN=C1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(cyclohexylideneamino)benzamide?
The InChIKey is MYANQCMUOIPHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-11-8-6-10(7-9-11)13(17)16-15-12-4-2-1-3-5-12/h6-9H,1-5H2,(H,16,17).
What are the key properties of 4-bromo-N-(cyclohexylideneamino)benzamide?
4-bromo-N-(cyclohexylideneamino)benzamide has a molecular weight of 295.18 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclohexylideneamino)benzamide is sourced from PubChem (CID 786855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).