N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide

C13H10Cl2N2O3 — CID 965552

IUPACN'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c1-7-9(4-5-20-7)12(18)16-17-13(19)10-6-8(14)2-3-11(10)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyNKJHZKLNUHGZJF-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.97
Rot. Bonds2

About N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide

N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide (PubChem CID 965552) has the molecular formula C13H10Cl2N2O3 and a molecular weight of 313.14 g/mol. Its IUPAC name is N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
PubChem CID965552
Molecular FormulaC13H10Cl2N2O3
Molecular Weight313.14 g/mol
Exact Mass312.01
IUPAC NameN'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2N2O3/c1-7-9(4-5-20-7)12(18)16-17-13(19)10-6-8(14)2-3-11(10)15/h2-6H,1H3,(H,16,18)(H,17,19)
InChIKeyNKJHZKLNUHGZJF-UHFFFAOYSA-N
XLogP2.97
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072
2,4-dichloro-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9472501
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 7289797
N'-(5-chlorofuran-2-carbonyl)-2-methylfuran-3-carbohydrazide
CID 30137081
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
N'-[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]-2-methylfuran-3-carbohydrazide
CID 7809092
2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 26891412
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663401
N-[1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 137031048

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide (CID 965552) is N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is NKJHZKLNUHGZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3/c1-7-9(4-5-20-7)12(18)16-17-13(19)10-6-8(14)2-3-11(10)15/h2-6H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide?
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 313.14 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 965552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).