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

C16H14Cl2N2O3 — CID 25394281

IUPACN'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)/C=C/c2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C16H14Cl2N2O3/c1-9-7-13(10(2)23-9)16(22)20-19-15(21)6-3-11-8-12(17)4-5-14(11)18/h3-8H,1-2H3,(H,19,21)(H,20,22)/b6-3+
InChIKeyRXDOPNJJEWYAQB-ZZXKWVIFSA-N
MW353.21 g/mol
LogP3.68
Rot. Bonds3

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

N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 25394281) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID25394281
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)/C=C/c2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C16H14Cl2N2O3/c1-9-7-13(10(2)23-9)16(22)20-19-15(21)6-3-11-8-12(17)4-5-14(11)18/h3-8H,1-2H3,(H,19,21)(H,20,22)/b6-3+
InChIKeyRXDOPNJJEWYAQB-ZZXKWVIFSA-N
XLogP3.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.68
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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Related Compounds

2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 26891412
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 2715711
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 40723054
2,5-dimethyl-N'-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]furan-3-carbohydrazide
CID 9116492
2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide
CID 51333730
N'-(2-chloro-5-methylsulfonylbenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 31289347
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
N'-(2-chloro-4-fluorobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 51166128
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
4-chloro-3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 26895477
2,5-dimethyl-N'-[(E)-3-(5-phenylthiophen-2-yl)prop-2-enoyl]furan-3-carbohydrazide
CID 27668240
N'-[2-(4-chlorophenoxy)propanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 51145728

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide (CID 25394281) is N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)/C=C/c2cc(Cl)ccc2Cl)c(C)o1.
What is the InChIKey of N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is RXDOPNJJEWYAQB-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-9-7-13(10(2)23-9)16(22)20-19-15(21)6-3-11-8-12(17)4-5-14(11)18/h3-8H,1-2H3,(H,19,21)(H,20,22)/b6-3+.
What are the key properties of N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 353.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 25394281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).