2-(3-bromophenyl)propanehydrazide

C9H11BrN2O — CID 116843936

IUPAC2-(3-bromophenyl)propanehydrazide
SMILESCC(C(=O)NN)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O/c1-6(9(13)12-11)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3,(H,12,13)
InChIKeyYCIYALSGUAUTCJ-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.54
Rot. Bonds2

About 2-(3-bromophenyl)propanehydrazide

2-(3-bromophenyl)propanehydrazide (PubChem CID 116843936) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)propanehydrazide.

Molecular Properties

Compound Name2-(3-bromophenyl)propanehydrazide
PubChem CID116843936
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-(3-bromophenyl)propanehydrazide
SMILESCC(C(=O)NN)c1cccc(Br)c1
InChIInChI=1S/C9H11BrN2O/c1-6(9(13)12-11)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3,(H,12,13)
InChIKeyYCIYALSGUAUTCJ-UHFFFAOYSA-N
XLogP1.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N',N'-dimethylpropanehydrazide
CID 116848149
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
2-(3-bromophenyl)-N-hexylpropanamide
CID 176514304
2-naphthalen-2-ylpropanehydrazide
CID 116843954
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
4-(3-bromophenyl)pent-1-yn-3-one
CID 123650502
2-amino-N-[1-(3-bromophenyl)ethyl]propanamide;hydrochloride
CID 119285491
2-(3-bromophenyl)sulfanylpropanehydrazide
CID 63579968
(2S)-2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 104898206
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81382467
2-(3-bromophenyl)-N-(1,2,5-thiadiazol-3-ylmethyl)propanamide
CID 166311484
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)propanehydrazide?
The IUPAC name of 2-(3-bromophenyl)propanehydrazide (CID 116843936) is 2-(3-bromophenyl)propanehydrazide.
What is the SMILES notation for 2-(3-bromophenyl)propanehydrazide?
The canonical SMILES for 2-(3-bromophenyl)propanehydrazide is CC(C(=O)NN)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)propanehydrazide?
The InChIKey is YCIYALSGUAUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6(9(13)12-11)7-3-2-4-8(10)5-7/h2-6H,11H2,1H3,(H,12,13).
What are the key properties of 2-(3-bromophenyl)propanehydrazide?
2-(3-bromophenyl)propanehydrazide has a molecular weight of 243.10 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)propanehydrazide is sourced from PubChem (CID 116843936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).