N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide

C24H22ClN3O5 — CID 55822587

IUPACN'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C24H22ClN3O5/c1-16-13-18(25)8-10-20(16)31-12-4-7-23(29)27-28-24(30)22-11-9-19(33-22)15-32-21-6-3-2-5-17(21)14-26/h2-3,5-6,8-11,13H,4,7,12,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyKSMLTMRYWLPIGT-UHFFFAOYSA-N
MW467.91 g/mol
LogP4.31
Rot. Bonds9

About N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide

N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide (PubChem CID 55822587) has the molecular formula C24H22ClN3O5 and a molecular weight of 467.91 g/mol. Its IUPAC name is N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide
PubChem CID55822587
Molecular FormulaC24H22ClN3O5
Molecular Weight467.91 g/mol
Exact Mass467.12
IUPAC NameN'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccc(COc2ccccc2C#N)o1
InChIInChI=1S/C24H22ClN3O5/c1-16-13-18(25)8-10-20(16)31-12-4-7-23(29)27-28-24(30)22-11-9-19(33-22)15-32-21-6-3-2-5-17(21)14-26/h2-3,5-6,8-11,13H,4,7,12,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyKSMLTMRYWLPIGT-UHFFFAOYSA-N
XLogP4.31
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.91
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
N'-(4-phenoxybutanoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31837131
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19457516
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19457527
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
N-[5-[[4-(4-chloro-2-methylphenoxy)butanoylamino]carbamoyl]thiophen-2-yl]acetamide
CID 154757997
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)furan-2-carboxamide
CID 19457438

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide (CID 55822587) is N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide is Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccc(COc2ccccc2C#N)o1.
What is the InChIKey of N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is KSMLTMRYWLPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5/c1-16-13-18(25)8-10-20(16)31-12-4-7-23(29)27-28-24(30)22-11-9-19(33-22)15-32-21-6-3-2-5-17(21)14-26/h2-3,5-6,8-11,13H,4,7,12,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide?
N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 467.91 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-5-[(2-cyanophenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 55822587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).