N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide

C15H10Cl2F3NO2 — CID 55856487

IUPACN-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide
SMILESO=C(NOCc1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10Cl2F3NO2/c16-12-5-2-6-13(17)11(12)8-23-21-14(22)9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyUAGHIXHZIKUYRR-UHFFFAOYSA-N
MW364.15 g/mol
LogP4.87
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide

N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide (PubChem CID 55856487) has the molecular formula C15H10Cl2F3NO2 and a molecular weight of 364.15 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide
PubChem CID55856487
Molecular FormulaC15H10Cl2F3NO2
Molecular Weight364.15 g/mol
Exact Mass363.00
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide
SMILESO=C(NOCc1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10Cl2F3NO2/c16-12-5-2-6-13(17)11(12)8-23-21-14(22)9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKeyUAGHIXHZIKUYRR-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-3-(trifluoromethyl)benzamide
CID 56797316
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide
CID 47077526
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82725291
N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3816337
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
(2,6-dichlorophenyl)methyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 2382756
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19407133
(2,6-dichlorophenyl)methyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 3560338
ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide (CID 55856487) is N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide is O=C(NOCc1c(Cl)cccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide?
The InChIKey is UAGHIXHZIKUYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO2/c16-12-5-2-6-13(17)11(12)8-23-21-14(22)9-3-1-4-10(7-9)15(18,19)20/h1-7H,8H2,(H,21,22).
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide?
N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide has a molecular weight of 364.15 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 55856487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).