4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide

C18H18Cl3NO4 — CID 84555209

IUPAC4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide
SMILESCOc1ccc(C(O)CCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C18H18Cl3NO4/c1-25-11-3-4-12(16(9-11)26-2)15(23)5-6-17(24)22-18-13(20)7-10(19)8-14(18)21/h3-4,7-9,15,23H,5-6H2,1-2H3,(H,22,24)
InChIKeyKLAOBQKOVKEVIB-UHFFFAOYSA-N
MW418.70 g/mol
LogP5.12
Rot. Bonds7

About 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide

4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide (PubChem CID 84555209) has the molecular formula C18H18Cl3NO4 and a molecular weight of 418.70 g/mol. Its IUPAC name is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide
PubChem CID84555209
Molecular FormulaC18H18Cl3NO4
Molecular Weight418.70 g/mol
Exact Mass417.03
IUPAC Name4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide
SMILESCOc1ccc(C(O)CCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1
InChIInChI=1S/C18H18Cl3NO4/c1-25-11-3-4-12(16(9-11)26-2)15(23)5-6-17(24)22-18-13(20)7-10(19)8-14(18)21/h3-4,7-9,15,23H,5-6H2,1-2H3,(H,22,24)
InChIKeyKLAOBQKOVKEVIB-UHFFFAOYSA-N
XLogP5.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.70
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555197
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(1H-pyrazol-5-yl)butanamide
CID 84555446
N-(5-bromo-2-pyridinyl)-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555427
2-[[4-(2,4-dimethoxyphenyl)-4-hydroxybutanoyl]amino]-3-methylpentanoic acid
CID 84556321
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 84555255
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
4-(2,4-dimethoxyphenyl)-N-(3-ethoxypropyl)-4-hydroxybutanamide
CID 84556248
(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(oxolan-2-ylmethyl)butanamide
CID 84556231
N-[2-(2,4-dimethoxyphenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 112511023
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2,4-dimethoxyphenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927728

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide?
The IUPAC name of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide (CID 84555209) is 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide.
What is the SMILES notation for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide?
The canonical SMILES for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide is COc1ccc(C(O)CCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide?
The InChIKey is KLAOBQKOVKEVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO4/c1-25-11-3-4-12(16(9-11)26-2)15(23)5-6-17(24)22-18-13(20)7-10(19)8-14(18)21/h3-4,7-9,15,23H,5-6H2,1-2H3,(H,22,24).
What are the key properties of 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide?
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide has a molecular weight of 418.70 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyphenyl)-4-hydroxy-N-(2,4,6-trichlorophenyl)butanamide is sourced from PubChem (CID 84555209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).