N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide

C21H23Cl2NO3 — CID 158250059

IUPACN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)CC(C)(C)C
InChIInChI=1S/C21H23Cl2NO3/c1-21(2,3)12-20(26)24-17-11-14(6-8-19(17)27-4)18(25)10-13-5-7-15(22)16(23)9-13/h5-9,11H,10,12H2,1-4H3,(H,24,26)
InChIKeyGGPJULWZOSSIKP-UHFFFAOYSA-N
MW408.33 g/mol
LogP5.80
Rot. Bonds6

About N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide

N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide (PubChem CID 158250059) has the molecular formula C21H23Cl2NO3 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide
PubChem CID158250059
Molecular FormulaC21H23Cl2NO3
Molecular Weight408.33 g/mol
Exact Mass407.11
IUPAC NameN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)CC(C)(C)C
InChIInChI=1S/C21H23Cl2NO3/c1-21(2,3)12-20(26)24-17-11-14(6-8-19(17)27-4)18(25)10-13-5-7-15(22)16(23)9-13/h5-9,11H,10,12H2,1-4H3,(H,24,26)
InChIKeyGGPJULWZOSSIKP-UHFFFAOYSA-N
XLogP5.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide
CID 158506803
N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]cyclopropanecarboxamide
CID 148520683
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
N-(2-chloro-4,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 18139937
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
2-(3,4-dichlorophenyl)-N-(8-methoxyquinolin-5-yl)acetamide
CID 60575303
N-[4-(3,3-dimethylbutanoylamino)-2,5-dimethoxyphenyl]benzamide
CID 40521638
3-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 66543128

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide (CID 158250059) is N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide is COc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide?
The InChIKey is GGPJULWZOSSIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO3/c1-21(2,3)12-20(26)24-17-11-14(6-8-19(17)27-4)18(25)10-13-5-7-15(22)16(23)9-13/h5-9,11H,10,12H2,1-4H3,(H,24,26).
What are the key properties of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide?
N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide has a molecular weight of 408.33 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158250059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).