4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide

C19H16N2O4 — CID 17453511

IUPAC4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide
SMILESCOc1cccc2cc(/C=C/C(=O)Nc3ccc(C(N)=O)cc3)oc12
InChIInChI=1S/C19H16N2O4/c1-24-16-4-2-3-13-11-15(25-18(13)16)9-10-17(22)21-14-7-5-12(6-8-14)19(20)23/h2-11H,1H3,(H2,20,23)(H,21,22)/b10-9+
InChIKeyHARYRPBMYFQGEZ-MDZDMXLPSA-N
MW336.35 g/mol
LogP3.19
Rot. Bonds5

About 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide

4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide (PubChem CID 17453511) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide
PubChem CID17453511
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide
SMILESCOc1cccc2cc(/C=C/C(=O)Nc3ccc(C(N)=O)cc3)oc12
InChIInChI=1S/C19H16N2O4/c1-24-16-4-2-3-13-11-15(25-18(13)16)9-10-17(22)21-14-7-5-12(6-8-14)19(20)23/h2-11H,1H3,(H2,20,23)(H,21,22)/b10-9+
InChIKeyHARYRPBMYFQGEZ-MDZDMXLPSA-N
XLogP3.19
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 24595962
methyl (E)-4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]but-2-enoate
CID 166316992
(2-methoxyphenyl) (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 24592521
(E)-3-(7-methoxy-1-benzofuran-2-yl)-N-(3-methylbutyl)prop-2-enamide
CID 24605010
(E)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enamide
CID 24604937
(E)-3-(5-chloro-7-methoxy-1-benzofuran-2-yl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 51370810
(E)-3-(5-methoxy-1-benzofuran-2-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 51370920
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
[2-(2-acetylanilino)-2-oxoethyl] (E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoate
CID 42042662
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
4-[[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzamide
CID 8885040
(E)-N-(4-acetamidophenyl)-3-(1-benzofuran-2-yl)prop-2-enamide
CID 35049946

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide?
The IUPAC name of 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide (CID 17453511) is 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide is COc1cccc2cc(/C=C/C(=O)Nc3ccc(C(N)=O)cc3)oc12.
What is the InChIKey of 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide?
The InChIKey is HARYRPBMYFQGEZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-16-4-2-3-13-11-15(25-18(13)16)9-10-17(22)21-14-7-5-12(6-8-14)19(20)23/h2-11H,1H3,(H2,20,23)(H,21,22)/b10-9+.
What are the key properties of 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide?
4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide has a molecular weight of 336.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-(7-methoxy-1-benzofuran-2-yl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 17453511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).