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

C15H13ClN2O2 — CID 129440525

IUPAC2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
SMILESCC(/C=C\c1ccco1)=NNC(=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-GSFSHDHISA-N
MW288.73 g/mol
LogP3.75
Rot. Bonds4

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

2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide (PubChem CID 129440525) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
PubChem CID129440525
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
SMILESCC(/C=C\c1ccco1)=NNC(=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-GSFSHDHISA-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

2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
CID 3566595
[4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (Z)-3-(furan-2-yl)prop-2-enoate
CID 129440011
[3-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6240389
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 825541
cis-(1R,2S)-N-[[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-2-phenylcyclopropane-1-carboxamide
CID 129440919
2-chloro-N-(3,3-dimethylbutan-2-ylideneamino)benzamide
CID 691089
N-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydroxylamine
CID 6926110
2-chloro-N-[2-oxo-2-[2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 15945772
2-chloro-N-[2-oxo-2-[2-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 129441454
2-chloro-N-[2-oxo-2-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]ethyl]benzamide
CID 6042340
N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 129360095
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 3998227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide?
The IUPAC name of 2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide (CID 129440525) is 2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide.
What is the SMILES notation for 2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide?
The canonical SMILES for 2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide is CC(/C=C\c1ccco1)=NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide?
The InChIKey is TYURSFSDLASZDN-GSFSHDHISA-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)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide?
2-chloro-N-[[(Z)-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)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide is sourced from PubChem (CID 129440525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).