2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide

C15H13ClN2O3 — CID 932790

IUPAC2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(C=CC(=O)NNC(=O)c2ccccc2Cl)o1
InChIInChI=1S/C15H13ClN2O3/c1-10-6-7-11(21-10)8-9-14(19)17-18-15(20)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyRLOQQIOITJFJRN-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.72
Rot. Bonds3

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

2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide (PubChem CID 932790) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
PubChem CID932790
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(C=CC(=O)NNC(=O)c2ccccc2Cl)o1
InChIInChI=1S/C15H13ClN2O3/c1-10-6-7-11(21-10)8-9-14(19)17-18-15(20)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20)
InChIKeyRLOQQIOITJFJRN-UHFFFAOYSA-N
XLogP2.72
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.72
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-methyl-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 909150
2,5-dichloro-N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 26891412
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
(E)-N-[[(2-iodobenzoyl)amino]carbamothioyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6291665
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
4-[(E)-3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061962
2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
CID 9037519
(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
ethyl (Z)-4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobut-2-enoate
CID 98076020
2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-N-prop-2-enylbenzamide
CID 18158409
2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 35930069
(E)-N-(3,5-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 923459

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide (CID 932790) is 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide is Cc1ccc(C=CC(=O)NNC(=O)c2ccccc2Cl)o1.
What is the InChIKey of 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is RLOQQIOITJFJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10-6-7-11(21-10)8-9-14(19)17-18-15(20)12-4-2-3-5-13(12)16/h2-9H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide?
2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 304.73 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 932790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).