N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide

C16H17ClN2O4 — CID 51145728

IUPACN'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C16H17ClN2O4/c1-9-8-14(10(2)22-9)16(21)19-18-15(20)11(3)23-13-6-4-12(17)5-7-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21)
InChIKeyFVAFOOIZXFMBOA-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.78
Rot. Bonds4

About N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 51145728) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.78 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID51145728
Molecular FormulaC16H17ClN2O4
Molecular Weight336.78 g/mol
Exact Mass336.09
IUPAC NameN'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C16H17ClN2O4/c1-9-8-14(10(2)22-9)16(21)19-18-15(20)11(3)23-13-6-4-12(17)5-7-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21)
InChIKeyFVAFOOIZXFMBOA-UHFFFAOYSA-N
XLogP2.78
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N'-(2-phenoxypropanoyl)benzohydrazide
CID 18158718
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
CID 17046478
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
5-chloro-N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9088683
5-chloro-2-methoxy-N'-(2-naphthalen-2-yloxypropanoyl)benzohydrazide
CID 43003624
1-[[(2S)-2-(4-chlorophenoxy)propanoyl]amino]-3-methylthiourea
CID 7201415
5-chloro-N'-[2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 46656764
5-chloro-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9091736
4-chloro-N'-[2-(3,4-dichlorophenoxy)propanoyl]-2-methoxybenzohydrazide
CID 55821337
N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4944161
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 51145728) is N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2)c(C)o1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is FVAFOOIZXFMBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-9-8-14(10(2)22-9)16(21)19-18-15(20)11(3)23-13-6-4-12(17)5-7-13/h4-8,11H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 336.78 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 51145728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).