N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C21H17N3O3 — CID 3324934

IUPACN-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(NN=Cc1ccco1)C(=Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-20(17-10-5-2-6-11-17)23-19(14-16-8-3-1-4-9-16)21(26)24-22-15-18-12-7-13-27-18/h1-15H,(H,23,25)(H,24,26)
InChIKeyMEMQNFVKMHKUNQ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.20
Rot. Bonds6

About N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide

N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 3324934) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID3324934
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESO=C(NN=Cc1ccco1)C(=Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-20(17-10-5-2-6-11-17)23-19(14-16-8-3-1-4-9-16)21(26)24-22-15-18-12-7-13-27-18/h1-15H,(H,23,25)(H,24,26)
InChIKeyMEMQNFVKMHKUNQ-UHFFFAOYSA-N
XLogP3.20
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[(5-iodofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 4695651
N-[(Z)-3-[(2E)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 5335415
(2E)-2-benzylidene-N-[(E)-furan-2-ylmethylideneamino]-4-hydroxybutanamide
CID 6880952
N-[(E)-3-[2-[[5-(4-bromophenyl)furan-2-yl]methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 129441268
N-[(E)-3-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 53305033
N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 5305148
N-[(Z)-3-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 135479837
N-[(E)-3-[2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 137195479
N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[(5-iodofuran-2-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 43907074
[4-[[[(Z)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
CID 129439357
N-[(Z)-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 26368034
N-[1-(furan-2-yl)-3-(4-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 828229

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 3324934) is N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is O=C(NN=Cc1ccco1)C(=Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is MEMQNFVKMHKUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-20(17-10-5-2-6-11-17)23-19(14-16-8-3-1-4-9-16)21(26)24-22-15-18-12-7-13-27-18/h1-15H,(H,23,25)(H,24,26).
What are the key properties of N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 3324934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).