N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide

C15H14N2O3 — CID 5254255

IUPACN'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C15H14N2O3/c1-11-4-6-12(7-5-11)15(19)17-16-14(18)9-8-13-3-2-10-20-13/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKeyXTWVPKYLWXUUHK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.06
Rot. Bonds3

About N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide

N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide (PubChem CID 5254255) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
PubChem CID5254255
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC NameN'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C15H14N2O3/c1-11-4-6-12(7-5-11)15(19)17-16-14(18)9-8-13-3-2-10-20-13/h2-10H,1H3,(H,16,18)(H,17,19)
InChIKeyXTWVPKYLWXUUHK-UHFFFAOYSA-N
XLogP2.06
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.06
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'}

Analyze N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444
4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
CID 78537225
3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 1191602
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493
4-tert-butyl-N-[4-[[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]carbamoyl]phenyl]benzamide
CID 4510733
N'-[2-(2,4-dimethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4500595
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
(E)-3-(furan-2-yl)-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]prop-2-enamide
CID 6233572
(E)-3-(furan-2-yl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108744999
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806

Frequently Asked Questions

What is the IUPAC name of N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide (CID 5254255) is N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)C=Cc2ccco2)cc1.
What is the InChIKey of N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide?
The InChIKey is XTWVPKYLWXUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-11-4-6-12(7-5-11)15(19)17-16-14(18)9-8-13-3-2-10-20-13/h2-10H,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide?
N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide has a molecular weight of 270.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 5254255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).