N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide

C16H17ClN2O3 — CID 26996819

IUPACN'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide
SMILESCc1oc(C)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1C
InChIInChI=1S/C16H17ClN2O3/c1-9-10(2)22-11(3)15(9)16(21)19-18-14(20)8-12-4-6-13(17)7-5-12/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyPBASZAYUZQQSIY-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.86
Rot. Bonds3

About N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide

N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide (PubChem CID 26996819) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide
PubChem CID26996819
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide
SMILESCc1oc(C)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1C
InChIInChI=1S/C16H17ClN2O3/c1-9-10(2)22-11(3)15(9)16(21)19-18-14(20)8-12-4-6-13(17)7-5-12/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyPBASZAYUZQQSIY-UHFFFAOYSA-N
XLogP2.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.86
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'-[2-(4-chlorophenyl)acetyl]-5-methyl-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 29227737
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
N'-[2-(4-chlorophenyl)acetyl]-3,4-dimethylbenzohydrazide
CID 78784923
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
N'-[2-(4-chlorophenyl)acetyl]-6-methylpyridine-3-carbohydrazide
CID 31117850
N'-[2-(4-chlorophenyl)acetyl]-4-ethyl-5-methylthiophene-2-carbohydrazide
CID 26657465
3-bromo-N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936804
N'-[2-(4-chlorophenyl)acetyl]cyclopropanecarbohydrazide
CID 4938227
N'-[2-(4-chlorophenyl)acetyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 46698299
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide (CID 26996819) is N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide is Cc1oc(C)c(C(=O)NNC(=O)Cc2ccc(Cl)cc2)c1C.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide?
The InChIKey is PBASZAYUZQQSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-9-10(2)22-11(3)15(9)16(21)19-18-14(20)8-12-4-6-13(17)7-5-12/h4-7H,8H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide has a molecular weight of 320.78 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-2,4,5-trimethylfuran-3-carbohydrazide is sourced from PubChem (CID 26996819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).