2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide

C14H11ClN2O2 — CID 7832177

IUPAC2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1ccccc1Cl
InChIInChI=1S/C14H11ClN2O2/c15-13-8-2-1-7-12(13)14(18)17-16-9-3-5-11-6-4-10-19-11/h1-10H,(H,17,18)/b5-3+,16-9+
InChIKeyRZZLYAXKMSQWOX-KLKIZMIFSA-N
MW274.71 g/mol
LogP3.36
Rot. Bonds4

About 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide

2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide (PubChem CID 7832177) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide
PubChem CID7832177
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C/C=C/c1ccco1)c1ccccc1Cl
InChIInChI=1S/C14H11ClN2O2/c15-13-8-2-1-7-12(13)14(18)17-16-9-3-5-11-6-4-10-19-11/h1-10H,(H,17,18)/b5-3+,16-9+
InChIKeyRZZLYAXKMSQWOX-KLKIZMIFSA-N
XLogP3.36
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.36
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide (CID 7832177) is 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide is O=C(N/N=C/C=C/c1ccco1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide?
The InChIKey is RZZLYAXKMSQWOX-KLKIZMIFSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-13-8-2-1-7-12(13)14(18)17-16-9-3-5-11-6-4-10-19-11/h1-10H,(H,17,18)/b5-3+,16-9+.
What are the key properties of 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide?
2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide has a molecular weight of 274.71 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]benzamide is sourced from PubChem (CID 7832177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).