3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide

C13H12Cl2N2O2 — CID 91686857

IUPAC3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
SMILESNNC(=O)CCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C13H12Cl2N2O2/c14-8-1-4-10(11(15)7-8)12-5-2-9(19-12)3-6-13(18)17-16/h1-2,4-5,7H,3,6,16H2,(H,17,18)
InChIKeyVNPCWLSBIMXRNF-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.18
Rot. Bonds4

About 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide

3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide (PubChem CID 91686857) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
PubChem CID91686857
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
SMILESNNC(=O)CCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C13H12Cl2N2O2/c14-8-1-4-10(11(15)7-8)12-5-2-9(19-12)3-6-13(18)17-16/h1-2,4-5,7H,3,6,16H2,(H,17,18)
InChIKeyVNPCWLSBIMXRNF-UHFFFAOYSA-N
XLogP3.18
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.18
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

3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686863
3-[5-(2,4-dichlorophenyl)furan-2-yl]propan-1-ol
CID 170887541
3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide
CID 91686849
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide
CID 2174440
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8637118
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 4724324
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4-fluoroaniline
CID 1446213

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide (CID 91686857) is 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide is NNC(=O)CCc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide?
The InChIKey is VNPCWLSBIMXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-8-1-4-10(11(15)7-8)12-5-2-9(19-12)3-6-13(18)17-16/h1-2,4-5,7H,3,6,16H2,(H,17,18).
What are the key properties of 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide?
3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide has a molecular weight of 299.16 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide is sourced from PubChem (CID 91686857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).