N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide

C16H22Br2N2O — CID 4153285

IUPACN'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide
SMILESCCCCCCCC(=O)NNC(=CBr)c1ccc(Br)cc1
InChIInChI=1S/C16H22Br2N2O/c1-2-3-4-5-6-7-16(21)20-19-15(12-17)13-8-10-14(18)11-9-13/h8-12,19H,2-7H2,1H3,(H,20,21)
InChIKeyOVZCFMBPSMKOCK-UHFFFAOYSA-N
MW418.17 g/mol
LogP5.12
Rot. Bonds9

About N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide

N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide (PubChem CID 4153285) has the molecular formula C16H22Br2N2O and a molecular weight of 418.17 g/mol. Its IUPAC name is N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide.

Molecular Properties

Compound NameN'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide
PubChem CID4153285
Molecular FormulaC16H22Br2N2O
Molecular Weight418.17 g/mol
Exact Mass416.01
IUPAC NameN'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide
SMILESCCCCCCCC(=O)NNC(=CBr)c1ccc(Br)cc1
InChIInChI=1S/C16H22Br2N2O/c1-2-3-4-5-6-7-16(21)20-19-15(12-17)13-8-10-14(18)11-9-13/h8-12,19H,2-7H2,1H3,(H,20,21)
InChIKeyOVZCFMBPSMKOCK-UHFFFAOYSA-N
XLogP5.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.17
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
1-bromo-4-non-2-en-3-ylbenzene
CID 150309996
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
N-[(4-bromo-N-methylanilino)methyl]octadecanamide
CID 102589479
N'-nonanoylbenzohydrazide
CID 5163159
N'-heptanoylbenzohydrazide
CID 4218130
N'-octanoylbenzohydrazide
CID 4227469
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
1-(octanoylamino)-3-phenylurea
CID 5130887
1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349

Frequently Asked Questions

What is the IUPAC name of N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide?
The IUPAC name of N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide (CID 4153285) is N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide.
What is the SMILES notation for N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide?
The canonical SMILES for N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide is CCCCCCCC(=O)NNC(=CBr)c1ccc(Br)cc1.
What is the InChIKey of N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide?
The InChIKey is OVZCFMBPSMKOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2O/c1-2-3-4-5-6-7-16(21)20-19-15(12-17)13-8-10-14(18)11-9-13/h8-12,19H,2-7H2,1H3,(H,20,21).
What are the key properties of N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide?
N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide has a molecular weight of 418.17 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-bromo-1-(4-bromophenyl)ethenyl]octanehydrazide is sourced from PubChem (CID 4153285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).