N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide

C23H36BrN3O2 — CID 45054475

IUPACN-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C23H36BrN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(28)25-19-23(29)27-26-18-20-14-13-15-21(24)17-20/h13-15,17-18H,2-12,16,19H2,1H3,(H,25,28)(H,27,29)/b26-18+
InChIKeyJJXNWSOAECIJON-NLRVBDNBSA-N
MW466.46 g/mol
LogP5.72
Rot. Bonds16

About N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide

N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide (PubChem CID 45054475) has the molecular formula C23H36BrN3O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
PubChem CID45054475
Molecular FormulaC23H36BrN3O2
Molecular Weight466.46 g/mol
Exact Mass465.20
IUPAC NameN-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Br)c1
InChIInChI=1S/C23H36BrN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(28)25-19-23(29)27-26-18-20-14-13-15-21(24)17-20/h13-15,17-18H,2-12,16,19H2,1H3,(H,25,28)(H,27,29)/b26-18+
InChIKeyJJXNWSOAECIJON-NLRVBDNBSA-N
XLogP5.72
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 98296303
N-[2-oxo-2-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]ethyl]dodecanamide
CID 6103947
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 6002218
N-[2-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 3512313
N-[2-oxo-2-[2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]decanamide
CID 4228313
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
N-[2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 6142119
N-[(E)-(3-chlorophenyl)methylideneamino]octadecanamide
CID 45054960
N-[(3-chlorophenyl)methylideneamino]hexadecanamide
CID 75087758
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 135821939

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide?
The IUPAC name of N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide (CID 45054475) is N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide.
What is the SMILES notation for N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide?
The canonical SMILES for N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Br)c1.
What is the InChIKey of N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide?
The InChIKey is JJXNWSOAECIJON-NLRVBDNBSA-N. The full InChI is InChI=1S/C23H36BrN3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(28)25-19-23(29)27-26-18-20-14-13-15-21(24)17-20/h13-15,17-18H,2-12,16,19H2,1H3,(H,25,28)(H,27,29)/b26-18+.
What are the key properties of N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide?
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide has a molecular weight of 466.46 g/mol, XLogP of 5.72, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide is sourced from PubChem (CID 45054475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).