3-[2-(4-phenoxyphenyl)ethenyl]benzamide

C21H17NO2 — CID 59728752

IUPAC3-[2-(4-phenoxyphenyl)ethenyl]benzamide
SMILESNC(=O)c1cccc(C=Cc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H17NO2/c22-21(23)18-6-4-5-17(15-18)10-9-16-11-13-20(14-12-16)24-19-7-2-1-3-8-19/h1-15H,(H2,22,23)
InChIKeySJEODTPSYORZSK-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.75
Rot. Bonds5

About 3-[2-(4-phenoxyphenyl)ethenyl]benzamide

3-[2-(4-phenoxyphenyl)ethenyl]benzamide (PubChem CID 59728752) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[2-(4-phenoxyphenyl)ethenyl]benzamide.

Molecular Properties

Compound Name3-[2-(4-phenoxyphenyl)ethenyl]benzamide
PubChem CID59728752
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name3-[2-(4-phenoxyphenyl)ethenyl]benzamide
SMILESNC(=O)c1cccc(C=Cc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C21H17NO2/c22-21(23)18-6-4-5-17(15-18)10-9-16-11-13-20(14-12-16)24-19-7-2-1-3-8-19/h1-15H,(H2,22,23)
InChIKeySJEODTPSYORZSK-UHFFFAOYSA-N
XLogP4.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
4-[2-[3-(4-methoxyphenoxy)phenyl]ethenyl]benzoic acid
CID 86184285
4-[(E)-2-(3-phenoxyphenyl)ethenyl]phenol
CID 11587340
(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 67385176
3-prop-1-enylbenzamide
CID 70146317
1-(2-phenylethenyl)-4-[4-(2-phenylethenyl)phenoxy]benzene;sulfuric acid
CID 172784219
(E)-but-2-enedioic acid;4-phenoxybenzamide
CID 68593915
3-[(Z)-2-(4-carboxyphenyl)ethenyl]benzoic acid
CID 67720414
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
3-(3-aminoprop-1-enyl)benzamide
CID 169463660
(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 171358471

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-phenoxyphenyl)ethenyl]benzamide?
The IUPAC name of 3-[2-(4-phenoxyphenyl)ethenyl]benzamide (CID 59728752) is 3-[2-(4-phenoxyphenyl)ethenyl]benzamide.
What is the SMILES notation for 3-[2-(4-phenoxyphenyl)ethenyl]benzamide?
The canonical SMILES for 3-[2-(4-phenoxyphenyl)ethenyl]benzamide is NC(=O)c1cccc(C=Cc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of 3-[2-(4-phenoxyphenyl)ethenyl]benzamide?
The InChIKey is SJEODTPSYORZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c22-21(23)18-6-4-5-17(15-18)10-9-16-11-13-20(14-12-16)24-19-7-2-1-3-8-19/h1-15H,(H2,22,23).
What are the key properties of 3-[2-(4-phenoxyphenyl)ethenyl]benzamide?
3-[2-(4-phenoxyphenyl)ethenyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-phenoxyphenyl)ethenyl]benzamide is sourced from PubChem (CID 59728752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).