2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide

C15H13ClN2O2 — CID 5409511

IUPAC2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
SMILESCC(/C=C/c1ccco1)=N/NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-11(8-9-12-5-4-10-20-12)17-18-15(19)13-6-2-3-7-14(13)16/h2-10H,1H3,(H,18,19)/b9-8+,17-11-
InChIKeyTYURSFSDLASZDN-JMAVEDQASA-N
MW288.73 g/mol
LogP3.75
Rot. Bonds4

About 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide

2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide (PubChem CID 5409511) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
PubChem CID5409511
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
SMILESCC(/C=C/c1ccco1)=N/NC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c1-11(8-9-12-5-4-10-20-12)17-18-15(19)13-6-2-3-7-14(13)16/h2-10H,1H3,(H,18,19)/b9-8+,17-11-
InChIKeyTYURSFSDLASZDN-JMAVEDQASA-N
XLogP3.75
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nsc216994
CID 6786016
N'-(2-chlorobenzoyl)furan-2-carbohydrazide
CID 911108
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2,4-dichloro-N'-[(E)-furan-3-ylmethylidene]benzohydrazide
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4-[(4-chloro-3-methylphenoxy)methyl]-N-(cyclopentylideneamino)benzamide
CID 4251870
3-Chloro-benzoic acid (3-furan-2-yl-1-methyl-allylidene)-hydrazide
CID 9591223
N'-{(E)-[5-(2-chlorophenyl)furan-2-yl]methylidene}benzohydrazide
CID 9615829
5-chloro-N'-[(1E,2E)-3-(2-furyl)-1-methylprop-2-enylidene]-2-hydroxybenzohydrazide
CID 9653670
2-chloro-N-[3-[2-(furan-2-ylmethylidene)hydrazinyl]-3-oxopropyl]benzamide
CID 2131610
4-chloro-N'-[(E)-furan-3-ylmethylidene]benzohydrazide
CID 9607362
2-chloro-N-[6-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-6-oxohexyl]benzamide
CID 6893418
4-{[5-(2-chlorophenyl)-2-furyl]methyl}-1(2H)-phthalazinone
CID 3573346

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide (CID 5409511) is 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide is CC(/C=C/c1ccco1)=N/NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide?
The InChIKey is TYURSFSDLASZDN-JMAVEDQASA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-11(8-9-12-5-4-10-20-12)17-18-15(19)13-6-2-3-7-14(13)16/h2-10H,1H3,(H,18,19)/b9-8+,17-11-.
What are the key properties of 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide?
2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide has a molecular weight of 288.73 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide is sourced from PubChem (CID 5409511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).