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

C19H28BrN3O2 — CID 3484835

IUPACN-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C19H28BrN3O2/c1-2-3-4-5-6-7-8-12-18(24)21-15-19(25)23-22-14-16-10-9-11-17(20)13-16/h9-11,13-14H,2-8,12,15H2,1H3,(H,21,24)(H,23,25)
InChIKeyMEXAMXNQBJYRHR-UHFFFAOYSA-N
MW410.36 g/mol
LogP4.16
Rot. Bonds12

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

N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide (PubChem CID 3484835) has the molecular formula C19H28BrN3O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide.

Molecular Properties

Compound NameN-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
PubChem CID3484835
Molecular FormulaC19H28BrN3O2
Molecular Weight410.36 g/mol
Exact Mass409.14
IUPAC NameN-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
SMILESCCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(Br)c1
InChIInChI=1S/C19H28BrN3O2/c1-2-3-4-5-6-7-8-12-18(24)21-15-19(25)23-22-14-16-10-9-11-17(20)13-16/h9-11,13-14H,2-8,12,15H2,1H3,(H,21,24)(H,23,25)
InChIKeyMEXAMXNQBJYRHR-UHFFFAOYSA-N
XLogP4.16
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.16
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-[(E)-(4-bromophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5333276
N-allyl-3-[2-(3-bromobenzylidene)hydrazino]-3-oxopropanamide
CID 5334849
N'-(3-bromobenzylidene)nonanohydrazide
CID 5335116
2-[2-(3-bromobenzylidene)hydrazino]-N-butyl-2-oxoacetamide
CID 9725860
N-[(E)-(3-bromophenyl)methylideneamino]-N',N'-diethyloxamide
CID 5339207
N-allyl-2-[2-(3-bromobenzylidene)hydrazino]-2-oxoacetamide
CID 5339201
(2S)-N-[(E)-(4-bromophenyl)methylideneamino]-5-oxopyrrolidine-2-carboxamide
CID 9697572
N-[(E)-(4-bromophenyl)methyleneamino]-2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetamide
CID 71466626
N'-[(3-bromophenyl)methylideneamino]-N-tert-butyloxamide
CID 2244326
N-(2-Oxo-2-(2-(3-phenyl-2-propenylidene)hydrazino)ethyl)tetradecanamide
CID 9622681
3-Bromo-N-(2-(2-(4-methylbenzylidene)hydrazino)-2-oxoethyl)benzamide
CID 9633884
N-(2-(2-(3-Bromobenzylidene)hydrazino)-2-oxoethyl)-4-fluorobenzamide
CID 9635105

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The IUPAC name of N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide (CID 3484835) is N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide.
What is the SMILES notation for N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The canonical SMILES for N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide is CCCCCCCCCC(=O)NCC(=O)NN=Cc1cccc(Br)c1.
What is the InChIKey of N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide?
The InChIKey is MEXAMXNQBJYRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O2/c1-2-3-4-5-6-7-8-12-18(24)21-15-19(25)23-22-14-16-10-9-11-17(20)13-16/h9-11,13-14H,2-8,12,15H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide?
N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide has a molecular weight of 410.36 g/mol, XLogP of 4.16, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide is sourced from PubChem (CID 3484835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).