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

C21H17Cl2NO2 — CID 8814570

IUPAC3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1
InChIInChI=1S/C21H17Cl2NO2/c1-14-4-2-6-17(10-14)24-21(25)16-5-3-7-18(12-16)26-13-15-8-9-19(22)20(23)11-15/h2-12H,13H2,1H3,(H,24,25)
InChIKeyMIMBTBJAJGWOSG-UHFFFAOYSA-N
MW386.28 g/mol
LogP6.13
Rot. Bonds5

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

3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide (PubChem CID 8814570) has the molecular formula C21H17Cl2NO2 and a molecular weight of 386.28 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
PubChem CID8814570
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.28 g/mol
Exact Mass385.06
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1
InChIInChI=1S/C21H17Cl2NO2/c1-14-4-2-6-17(10-14)24-21(25)16-5-3-7-18(12-16)26-13-15-8-9-19(22)20(23)11-15/h2-12H,13H2,1H3,(H,24,25)
InChIKeyMIMBTBJAJGWOSG-UHFFFAOYSA-N
XLogP6.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dichlorophenyl)methoxy]-N-(4-ethylphenyl)benzamide
CID 8814622
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 38735897
N-(3-methylphenyl)-3-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 26164724
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 56506117
3-[(3-methylphenyl)methoxy]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 46517813
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methoxypropyl)benzamide
CID 8815252
3-(3-methylbutoxy)-N-(3-methylphenyl)benzamide
CID 4981633
3-[[3-[(3,4-dichlorophenyl)methoxy]benzoyl]amino]propyl-dimethylazanium
CID 8815091

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide (CID 8814570) is 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide?
The InChIKey is MIMBTBJAJGWOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2NO2/c1-14-4-2-6-17(10-14)24-21(25)16-5-3-7-18(12-16)26-13-15-8-9-19(22)20(23)11-15/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide?
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide has a molecular weight of 386.28 g/mol, XLogP of 6.13, 5 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-(3-methylphenyl)benzamide is sourced from PubChem (CID 8814570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).