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

C20H21Cl2NO3 — CID 158506803

IUPACN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)CC(C)C
InChIInChI=1S/C20H21Cl2NO3/c1-12(2)8-20(25)23-17-11-14(5-7-19(17)26-3)18(24)10-13-4-6-15(21)16(22)9-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,23,25)
InChIKeyHKODUNHYAKMEIZ-UHFFFAOYSA-N
MW394.30 g/mol
LogP5.41
Rot. Bonds7

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

N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide (PubChem CID 158506803) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide
PubChem CID158506803
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC NameN-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)CC(C)C
InChIInChI=1S/C20H21Cl2NO3/c1-12(2)8-20(25)23-17-11-14(5-7-19(17)26-3)18(24)10-13-4-6-15(21)16(22)9-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,23,25)
InChIKeyHKODUNHYAKMEIZ-UHFFFAOYSA-N
XLogP5.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.30
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3,3-dimethylbutanamide
CID 158250059
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-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
1-(3-chloro-4-methoxyphenyl)-3-methylbutan-1-one
CID 43161730
N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide
CID 1428034
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
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
2-(3,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2555577
2-(3,4-dichlorophenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 4883247

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide?
The IUPAC name of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide (CID 158506803) is N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide?
The canonical SMILES for N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide is COc1ccc(C(=O)Cc2ccc(Cl)c(Cl)c2)cc1NC(=O)CC(C)C.
What is the InChIKey of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide?
The InChIKey is HKODUNHYAKMEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-12(2)8-20(25)23-17-11-14(5-7-19(17)26-3)18(24)10-13-4-6-15(21)16(22)9-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,23,25).
What are the key properties of N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide?
N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide has a molecular weight of 394.30 g/mol, XLogP of 5.41, 7 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-methylbutanamide is sourced from PubChem (CID 158506803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).