N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide

C16H15ClN2O3 — CID 7976363

IUPACN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)/C=C/c2ccccc2Cl)c(C)o1
InChIInChI=1S/C16H15ClN2O3/c1-10-9-13(11(2)22-10)16(21)19-18-15(20)8-7-12-5-3-4-6-14(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)/b8-7+
InChIKeyAERHQEMILFBYIC-BQYQJAHWSA-N
MW318.76 g/mol
LogP3.02
Rot. Bonds3

About N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 7976363) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID7976363
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC NameN'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)/C=C/c2ccccc2Cl)c(C)o1
InChIInChI=1S/C16H15ClN2O3/c1-10-9-13(11(2)22-10)16(21)19-18-15(20)8-7-12-5-3-4-6-14(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)/b8-7+
InChIKeyAERHQEMILFBYIC-BQYQJAHWSA-N
XLogP3.02
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 7976363) is N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)/C=C/c2ccccc2Cl)c(C)o1.
What is the InChIKey of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is AERHQEMILFBYIC-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-9-13(11(2)22-10)16(21)19-18-15(20)8-7-12-5-3-4-6-14(12)17/h3-9H,1-2H3,(H,18,20)(H,19,21)/b8-7+.
What are the key properties of N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 318.76 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 7976363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).