2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide

C15H12Cl2N2O3 — CID 26891412

IUPAC2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H12Cl2N2O3/c1-9-2-4-11(22-9)5-7-14(20)18-19-15(21)12-8-10(16)3-6-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)/b7-5+
InChIKeyLNSQKQWBSCYUAA-FNORWQNLSA-N
MW339.18 g/mol
LogP3.37
Rot. Bonds3

About 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide

2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide (PubChem CID 26891412) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
PubChem CID26891412
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H12Cl2N2O3/c1-9-2-4-11(22-9)5-7-14(20)18-19-15(21)12-8-10(16)3-6-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)/b7-5+
InChIKeyLNSQKQWBSCYUAA-FNORWQNLSA-N
XLogP3.37
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.37
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-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 932790
2-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 909150
N'-[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 25394281
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2539330
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719
methyl 4-chloro-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]benzoate
CID 53457544
N'-(2,5-dichlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 965552
4-chloro-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]-N-propan-2-ylbenzamide
CID 76884685
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459
N-[(2,4-dichlorophenyl)carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 3384334
(E)-N-[2,2-dimethyl-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 2165350
N'-acetyl-2,5-dichlorobenzohydrazide
CID 47099470

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide (CID 26891412) is 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is LNSQKQWBSCYUAA-FNORWQNLSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c1-9-2-4-11(22-9)5-7-14(20)18-19-15(21)12-8-10(16)3-6-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)/b7-5+.
What are the key properties of 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 339.18 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 26891412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).