5-(4-bromophenyl)-N'-methylpentanehydrazide

C12H17BrN2O — CID 116846599

IUPAC5-(4-bromophenyl)-N'-methylpentanehydrazide
SMILESCNNC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-14-15-12(16)5-3-2-4-10-6-8-11(13)9-7-10/h6-9,14H,2-5H2,1H3,(H,15,16)
InChIKeyCOMJCNWNJXUHOM-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.41
Rot. Bonds6

About 5-(4-bromophenyl)-N'-methylpentanehydrazide

5-(4-bromophenyl)-N'-methylpentanehydrazide (PubChem CID 116846599) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N'-methylpentanehydrazide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N'-methylpentanehydrazide
PubChem CID116846599
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name5-(4-bromophenyl)-N'-methylpentanehydrazide
SMILESCNNC(=O)CCCCc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-14-15-12(16)5-3-2-4-10-6-8-11(13)9-7-10/h6-9,14H,2-5H2,1H3,(H,15,16)
InChIKeyCOMJCNWNJXUHOM-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.41
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

4-(4-bromophenyl)-N-hydroxybutanamide
CID 139305557
5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
CID 116846626
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
CID 110893974
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
CID 166195436
ethyl 13-(4-bromophenyl)tridecanoate
CID 134946562
N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
CID 116846512
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
5-(4-bromophenyl)-N-pyridin-3-ylpentanamide
CID 166191110
N'-methyl-3-(4-phenylphenyl)propanehydrazide
CID 116846347

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N'-methylpentanehydrazide?
The IUPAC name of 5-(4-bromophenyl)-N'-methylpentanehydrazide (CID 116846599) is 5-(4-bromophenyl)-N'-methylpentanehydrazide.
What is the SMILES notation for 5-(4-bromophenyl)-N'-methylpentanehydrazide?
The canonical SMILES for 5-(4-bromophenyl)-N'-methylpentanehydrazide is CNNC(=O)CCCCc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N'-methylpentanehydrazide?
The InChIKey is COMJCNWNJXUHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-14-15-12(16)5-3-2-4-10-6-8-11(13)9-7-10/h6-9,14H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-(4-bromophenyl)-N'-methylpentanehydrazide?
5-(4-bromophenyl)-N'-methylpentanehydrazide has a molecular weight of 285.19 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N'-methylpentanehydrazide is sourced from PubChem (CID 116846599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).