(E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide

C18H14ClNO3 — CID 23111210

IUPAC(E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
SMILESCOc1cccc2c(NC(=O)/C=C/c3ccccc3)c(Cl)oc12
InChIInChI=1S/C18H14ClNO3/c1-22-14-9-5-8-13-16(18(19)23-17(13)14)20-15(21)11-10-12-6-3-2-4-7-12/h2-11H,1H3,(H,20,21)/b11-10+
InChIKeyWTOOHFUBPPKIHZ-ZHACJKMWSA-N
MW327.77 g/mol
LogP4.75
Rot. Bonds4

About (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide

(E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide (PubChem CID 23111210) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
PubChem CID23111210
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name(E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide
SMILESCOc1cccc2c(NC(=O)/C=C/c3ccccc3)c(Cl)oc12
InChIInChI=1S/C18H14ClNO3/c1-22-14-9-5-8-13-16(18(19)23-17(13)14)20-15(21)11-10-12-6-3-2-4-7-12/h2-11H,1H3,(H,20,21)/b11-10+
InChIKeyWTOOHFUBPPKIHZ-ZHACJKMWSA-N
XLogP4.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide (CID 23111210) is (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide is COc1cccc2c(NC(=O)/C=C/c3ccccc3)c(Cl)oc12.
What is the InChIKey of (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide?
The InChIKey is WTOOHFUBPPKIHZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-22-14-9-5-8-13-16(18(19)23-17(13)14)20-15(21)11-10-12-6-3-2-4-7-12/h2-11H,1H3,(H,20,21)/b11-10+.
What are the key properties of (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide?
(E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide has a molecular weight of 327.77 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-7-methoxy-1-benzofuran-3-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 23111210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).