N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide

C24H21Cl2NO3 — CID 26842050

IUPACN-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
SMILESCC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c2O1
InChIInChI=1S/C24H21Cl2NO3/c1-24(2)13-17-4-3-5-21(22(17)30-24)29-14-15-6-8-16(9-7-15)23(28)27-18-10-11-19(25)20(26)12-18/h3-12H,13-14H2,1-2H3,(H,27,28)
InChIKeyZCJBGDJUDDULHM-UHFFFAOYSA-N
MW442.34 g/mol
LogP6.54
Rot. Bonds5

About N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide

N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide (PubChem CID 26842050) has the molecular formula C24H21Cl2NO3 and a molecular weight of 442.34 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
PubChem CID26842050
Molecular FormulaC24H21Cl2NO3
Molecular Weight442.34 g/mol
Exact Mass441.09
IUPAC NameN-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
SMILESCC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c2O1
InChIInChI=1S/C24H21Cl2NO3/c1-24(2)13-17-4-3-5-21(22(17)30-24)29-14-15-6-8-16(9-7-15)23(28)27-18-10-11-19(25)20(26)12-18/h3-12H,13-14H2,1-2H3,(H,27,28)
InChIKeyZCJBGDJUDDULHM-UHFFFAOYSA-N
XLogP6.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.34
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3,4-dimethylphenyl)benzamide
CID 26842060
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-methoxyphenyl)benzamide
CID 26842036
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(3-nitrophenyl)benzamide
CID 26842034
N-[(2-chlorophenyl)methyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842014
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8552286
methyl 4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoate
CID 24818301
2-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzoyl]amino]benzamide
CID 26842085
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N-(2-methylsulfanylphenyl)benzamide
CID 26842040
N-[(2S)-butan-2-yl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552006
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-N,N-bis(2-methoxyethyl)benzamide
CID 26841997
N-[2-(cyclohexen-1-yl)ethyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 8552103
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide (CID 26842050) is N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide is CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c2O1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide?
The InChIKey is ZCJBGDJUDDULHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO3/c1-24(2)13-17-4-3-5-21(22(17)30-24)29-14-15-6-8-16(9-7-15)23(28)27-18-10-11-19(25)20(26)12-18/h3-12H,13-14H2,1-2H3,(H,27,28).
What are the key properties of N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide?
N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide has a molecular weight of 442.34 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide is sourced from PubChem (CID 26842050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).