5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide

C13H19BrN2O — CID 116847827

IUPAC5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide
SMILESCN(C)NC(=O)CCCCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-16(2)15-13(17)10-6-4-8-11-7-3-5-9-12(11)14/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,15,17)
InChIKeyQPEWUBURJJDAJJ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.75
Rot. Bonds6

About 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide

5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide (PubChem CID 116847827) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide.

Molecular Properties

Compound Name5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide
PubChem CID116847827
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide
SMILESCN(C)NC(=O)CCCCc1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-16(2)15-13(17)10-6-4-8-11-7-3-5-9-12(11)14/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,15,17)
InChIKeyQPEWUBURJJDAJJ-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
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

5-(2-bromophenyl)pentanehydrazide
CID 116843802
5-(4-ethylphenyl)-N',N'-dimethylpentanehydrazide
CID 116847774
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 51085814
N',N'-dimethyl-5-(2,4,6-trimethylphenyl)pentanehydrazide
CID 116847795
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
5-(2,3-dihydro-1H-inden-5-yl)-N',N'-dimethylpentanehydrazide
CID 116847788
N',N'-dimethyl-5-(5-methylfuran-2-yl)pentanehydrazide
CID 116847821
N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide
CID 116847805
2-(2-hydroxyphenyl)-N',N'-dimethylacetohydrazide
CID 83017027
5-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 61420483
3-(2-bromophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55822824

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide?
The IUPAC name of 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide (CID 116847827) is 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide.
What is the SMILES notation for 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide?
The canonical SMILES for 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide is CN(C)NC(=O)CCCCc1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide?
The InChIKey is QPEWUBURJJDAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(2)15-13(17)10-6-4-8-11-7-3-5-9-12(11)14/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,15,17).
What are the key properties of 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide?
5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide has a molecular weight of 299.21 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide is sourced from PubChem (CID 116847827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).