3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide

C22H19Cl2NO2 — CID 8814622

IUPAC3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C22H19Cl2NO2/c1-2-15-6-9-18(10-7-15)25-22(26)17-4-3-5-19(13-17)27-14-16-8-11-20(23)21(24)12-16/h3-13H,2,14H2,1H3,(H,25,26)
InChIKeyIUMQGAPDZXSKLB-UHFFFAOYSA-N
MW400.31 g/mol
LogP6.39
Rot. Bonds6

About 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide

3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide (PubChem CID 8814622) has the molecular formula C22H19Cl2NO2 and a molecular weight of 400.31 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
PubChem CID8814622
Molecular FormulaC22H19Cl2NO2
Molecular Weight400.31 g/mol
Exact Mass399.08
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C22H19Cl2NO2/c1-2-15-6-9-18(10-7-15)25-22(26)17-4-3-5-19(13-17)27-14-16-8-11-20(23)21(24)12-16/h3-13H,2,14H2,1H3,(H,25,26)
InChIKeyIUMQGAPDZXSKLB-UHFFFAOYSA-N
XLogP6.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.31
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
CID 8815252
N-(3,4-dichlorophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17139550
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613
N-(4-ethylphenyl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 24542057
3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium
CID 8815091
N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19411816
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-(4-acetamido-3-chlorophenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 43041597

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide (CID 8814622) is 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide?
The InChIKey is IUMQGAPDZXSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO2/c1-2-15-6-9-18(10-7-15)25-22(26)17-4-3-5-19(13-17)27-14-16-8-11-20(23)21(24)12-16/h3-13H,2,14H2,1H3,(H,25,26).
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide?
3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide has a molecular weight of 400.31 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 8814622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).