2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide

C23H22ClNO4 — CID 143116392

IUPAC2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2c(O)cccc2C(Cl)C(N)=O)cc1
InChIInChI=1S/C23H22ClNO4/c1-28-16-10-6-14(7-11-16)20(15-8-12-17(29-2)13-9-15)21-18(22(24)23(25)27)4-3-5-19(21)26/h3-13,20,22,26H,1-2H3,(H2,25,27)
InChIKeyYOGHEQFCFOWCIO-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.35
Rot. Bonds7

About 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide

2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide (PubChem CID 143116392) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide.

Molecular Properties

Compound Name2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide
PubChem CID143116392
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Name2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide
SMILESCOc1ccc(C(c2ccc(OC)cc2)c2c(O)cccc2C(Cl)C(N)=O)cc1
InChIInChI=1S/C23H22ClNO4/c1-28-16-10-6-14(7-11-16)20(15-8-12-17(29-2)13-9-15)21-18(22(24)23(25)27)4-3-5-19(21)26/h3-13,20,22,26H,1-2H3,(H2,25,27)
InChIKeyYOGHEQFCFOWCIO-UHFFFAOYSA-N
XLogP4.35
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide?
The IUPAC name of 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide (CID 143116392) is 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide.
What is the SMILES notation for 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide?
The canonical SMILES for 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide is COc1ccc(C(c2ccc(OC)cc2)c2c(O)cccc2C(Cl)C(N)=O)cc1.
What is the InChIKey of 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide?
The InChIKey is YOGHEQFCFOWCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-28-16-10-6-14(7-11-16)20(15-8-12-17(29-2)13-9-15)21-18(22(24)23(25)27)4-3-5-19(21)26/h3-13,20,22,26H,1-2H3,(H2,25,27).
What are the key properties of 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide?
2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide has a molecular weight of 411.89 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(4-methoxyphenyl)methyl]-3-hydroxyphenyl]-2-chloroacetamide is sourced from PubChem (CID 143116392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).