3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide

C19H20ClNO4 — CID 23141463

IUPAC3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)CO)cc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-25-18-9-6-15(19(24)21-11-17(23)12-22)10-14(18)5-2-13-3-7-16(20)8-4-13/h2-10,17,22-23H,11-12H2,1H3,(H,21,24)/b5-2+
InChIKeyFRFTWFWYLIBTEB-GORDUTHDSA-N
MW361.83 g/mol
LogP2.60
Rot. Bonds7

About 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide

3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide (PubChem CID 23141463) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide
PubChem CID23141463
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)CO)cc1/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-25-18-9-6-15(19(24)21-11-17(23)12-22)10-14(18)5-2-13-3-7-16(20)8-4-13/h2-10,17,22-23H,11-12H2,1H3,(H,21,24)/b5-2+
InChIKeyFRFTWFWYLIBTEB-GORDUTHDSA-N
XLogP2.60
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide (CID 23141463) is 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(O)CO)cc1/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide?
The InChIKey is FRFTWFWYLIBTEB-GORDUTHDSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-25-18-9-6-15(19(24)21-11-17(23)12-22)10-14(18)5-2-13-3-7-16(20)8-4-13/h2-10,17,22-23H,11-12H2,1H3,(H,21,24)/b5-2+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide?
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide has a molecular weight of 361.83 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)ethenyl]-N-(2,3-dihydroxypropyl)-4-methoxybenzamide is sourced from PubChem (CID 23141463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).