N'-(4-bromophenyl)propanehydrazide

C9H11BrN2O — CID 769159

IUPACN'-(4-bromophenyl)propanehydrazide
SMILESCCC(=O)NNc1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h3-6,11H,2H2,1H3,(H,12,13)
InChIKeyQJWLIGNFPMIGKX-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.30
Rot. Bonds3

About N'-(4-bromophenyl)propanehydrazide

N'-(4-bromophenyl)propanehydrazide (PubChem CID 769159) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N'-(4-bromophenyl)propanehydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)propanehydrazide
PubChem CID769159
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN'-(4-bromophenyl)propanehydrazide
SMILESCCC(=O)NNc1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h3-6,11H,2H2,1H3,(H,12,13)
InChIKeyQJWLIGNFPMIGKX-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetylphenylhydrazine
CID 8247
4-Bromophenylhydrazine hydrochloride
CID 12157
Propionic acid phenylhydrazide
CID 88671
4-Bromophenylhydrazine
CID 12158
1-[(4-bromophenyl)amino]-1H-pyrrole-2,5-dione
CID 781246
N'-Phenylisobutyrohydrazide
CID 221396
Triazene, 1-(p-bromophenyl)-3-methyl-
CID 93222
Acetic acid, 2-(4-aminophenyl)hydrazide
CID 81068
2-methyl-N'-phenylprop-2-enehydrazide
CID 2303225
Isovaleric acid, 2-(p-bromophenyl)hydrazide
CID 53021
N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide
CID 817878
Acetic acid 2-(4-bromophenyl)hydrazide
CID 615522

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)propanehydrazide?
The IUPAC name of N'-(4-bromophenyl)propanehydrazide (CID 769159) is N'-(4-bromophenyl)propanehydrazide.
What is the SMILES notation for N'-(4-bromophenyl)propanehydrazide?
The canonical SMILES for N'-(4-bromophenyl)propanehydrazide is CCC(=O)NNc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)propanehydrazide?
The InChIKey is QJWLIGNFPMIGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h3-6,11H,2H2,1H3,(H,12,13).
What are the key properties of N'-(4-bromophenyl)propanehydrazide?
N'-(4-bromophenyl)propanehydrazide has a molecular weight of 243.10 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)propanehydrazide is sourced from PubChem (CID 769159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).