2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide

C24H22ClNO5 — CID 23043626

IUPAC2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide
SMILESCOc1ccc(CCc2ccc(NC(=O)C(=O)c3cccc(Cl)c3O)cc2)cc1OC
InChIInChI=1S/C24H22ClNO5/c1-30-20-13-10-16(14-21(20)31-2)7-6-15-8-11-17(12-9-15)26-24(29)23(28)18-4-3-5-19(25)22(18)27/h3-5,8-14,27H,6-7H2,1-2H3,(H,26,29)
InChIKeyYEVSYPOZVWKTCV-UHFFFAOYSA-N
MW439.90 g/mol
LogP4.67
Rot. Bonds8

About 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide

2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide (PubChem CID 23043626) has the molecular formula C24H22ClNO5 and a molecular weight of 439.90 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide
PubChem CID23043626
Molecular FormulaC24H22ClNO5
Molecular Weight439.90 g/mol
Exact Mass439.12
IUPAC Name2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide
SMILESCOc1ccc(CCc2ccc(NC(=O)C(=O)c3cccc(Cl)c3O)cc2)cc1OC
InChIInChI=1S/C24H22ClNO5/c1-30-20-13-10-16(14-21(20)31-2)7-6-15-8-11-17(12-9-15)26-24(29)23(28)18-4-3-5-19(25)22(18)27/h3-5,8-14,27H,6-7H2,1-2H3,(H,26,29)
InChIKeyYEVSYPOZVWKTCV-UHFFFAOYSA-N
XLogP4.67
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5135119
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2218053
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
2-chloro-N-[4-(2-hydroxyethyl)phenyl]-6-methoxybenzamide
CID 75381688
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
CID 38236695

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide?
The IUPAC name of 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide (CID 23043626) is 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide is COc1ccc(CCc2ccc(NC(=O)C(=O)c3cccc(Cl)c3O)cc2)cc1OC.
What is the InChIKey of 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide?
The InChIKey is YEVSYPOZVWKTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO5/c1-30-20-13-10-16(14-21(20)31-2)7-6-15-8-11-17(12-9-15)26-24(29)23(28)18-4-3-5-19(25)22(18)27/h3-5,8-14,27H,6-7H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide?
2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide has a molecular weight of 439.90 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-hydroxyphenyl)-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]phenyl]-2-oxoacetamide is sourced from PubChem (CID 23043626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).