3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide

C14H15BrN2O2 — CID 91686849

IUPAC3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide
SMILESCc1cc(Br)ccc1-c1ccc(CCC(=O)NN)o1
InChIInChI=1S/C14H15BrN2O2/c1-9-8-10(15)2-5-12(9)13-6-3-11(19-13)4-7-14(18)17-16/h2-3,5-6,8H,4,7,16H2,1H3,(H,17,18)
InChIKeyDOUGJHPPZBREAL-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.94
Rot. Bonds4

About 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide

3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide (PubChem CID 91686849) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide.

Molecular Properties

Compound Name3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide
PubChem CID91686849
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide
SMILESCc1cc(Br)ccc1-c1ccc(CCC(=O)NN)o1
InChIInChI=1S/C14H15BrN2O2/c1-9-8-10(15)2-5-12(9)13-6-3-11(19-13)4-7-14(18)17-16/h2-3,5-6,8H,4,7,16H2,1H3,(H,17,18)
InChIKeyDOUGJHPPZBREAL-UHFFFAOYSA-N
XLogP2.94
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[5-(4-bromo-2-methylphenyl)furan-2-yl]propan-2-one
CID 81288975
3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686857
[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7450436
(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide
CID 124650754
2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17056402
3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686863
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
CID 17056480
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
(1R)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 29187702

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide?
The IUPAC name of 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide (CID 91686849) is 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide.
What is the SMILES notation for 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide?
The canonical SMILES for 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide is Cc1cc(Br)ccc1-c1ccc(CCC(=O)NN)o1.
What is the InChIKey of 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide?
The InChIKey is DOUGJHPPZBREAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-8-10(15)2-5-12(9)13-6-3-11(19-13)4-7-14(18)17-16/h2-3,5-6,8H,4,7,16H2,1H3,(H,17,18).
What are the key properties of 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide?
3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide has a molecular weight of 323.19 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide is sourced from PubChem (CID 91686849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).