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

C13H12Cl2N2O2 — CID 91686863

IUPAC3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide
SMILESNNC(=O)CCc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H12Cl2N2O2/c14-10-4-1-8(7-11(10)15)12-5-2-9(19-12)3-6-13(18)17-16/h1-2,4-5,7H,3,6,16H2,(H,17,18)
InChIKeySJDAJKCNJROLTM-UHFFFAOYSA-N
MW299.16 g/mol
LogP3.18
Rot. Bonds4

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

3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide (PubChem CID 91686863) has the molecular formula C13H12Cl2N2O2 and a molecular weight of 299.16 g/mol. Its IUPAC name is 3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide.

Molecular Properties

Compound Name3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide
PubChem CID91686863
Molecular FormulaC13H12Cl2N2O2
Molecular Weight299.16 g/mol
Exact Mass298.03
IUPAC Name3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide
SMILESNNC(=O)CCc1ccc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H12Cl2N2O2/c14-10-4-1-8(7-11(10)15)12-5-2-9(19-12)3-6-13(18)17-16/h1-2,4-5,7H,3,6,16H2,(H,17,18)
InChIKeySJDAJKCNJROLTM-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-(2,4-dichlorophenyl)furan-2-yl]propanehydrazide
CID 91686857
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740
(3S)-3-amino-3-[5-(3,4-dichlorophenyl)furan-2-yl]propanamide
CID 124514752
N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587398
N-[2-[5-(3,4-dichlorophenyl)furan-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 67172553
3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide
CID 91686849
N-(4-acetamidophenyl)-3-[5-(3,4-dimethylphenyl)furan-2-yl]propanamide
CID 46271038
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 28669941
1-[5-(3,4-dichlorophenyl)furan-2-yl]butan-2-amine
CID 170889125
N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 22587391
3-[5-(4-methoxyphenyl)furan-2-yl]-N-propylpropanamide
CID 22587421
N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]butanamide
CID 28665680

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide?
The IUPAC name of 3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide (CID 91686863) is 3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide.
What is the SMILES notation for 3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide?
The canonical SMILES for 3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide is NNC(=O)CCc1ccc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of 3-[5-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide?
The InChIKey is SJDAJKCNJROLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2/c14-10-4-1-8(7-11(10)15)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-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide?
3-[5-(3,4-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-(3,4-dichlorophenyl)furan-2-yl]propanehydrazide is sourced from PubChem (CID 91686863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).