N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide

C18H13Cl2F6NO4 — CID 3816337

IUPACN-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCc1c(Cl)cccc1Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C18H13Cl2F6NO4/c19-13-2-1-3-14(20)12(13)7-31-27-16(28)11-6-10(29-8-17(21,22)23)4-5-15(11)30-9-18(24,25)26/h1-6H,7-9H2,(H,27,28)
InChIKeyMVDSUFBZYFTSND-UHFFFAOYSA-N
MW492.20 g/mol
LogP5.74
Rot. Bonds8

About N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide

N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide (PubChem CID 3816337) has the molecular formula C18H13Cl2F6NO4 and a molecular weight of 492.20 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
PubChem CID3816337
Molecular FormulaC18H13Cl2F6NO4
Molecular Weight492.20 g/mol
Exact Mass491.01
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NOCc1c(Cl)cccc1Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChIInChI=1S/C18H13Cl2F6NO4/c19-13-2-1-3-14(20)12(13)7-31-27-16(28)11-6-10(29-8-17(21,22)23)4-5-15(11)30-9-18(24,25)26/h1-6H,7-9H2,(H,27,28)
InChIKeyMVDSUFBZYFTSND-UHFFFAOYSA-N
XLogP5.74
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.20
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropanecarbonyl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide
CID 1491489
methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 158681446
N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide
CID 55856487
1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2-chloroethanone
CID 12050208
N-(2-benzamidoethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3657845
benzyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate
CID 23390398
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 3782425
3-[[2,5-bis(2,2,2-trifluoroethoxy)benzoyl]amino]propanoic acid
CID 119177343
2,2,2-trifluoroethyl 2-(2,2-difluoropropoxy)-5-(2,2,2-trifluoroethoxy)benzoate
CID 143388362
4-bromo-N-(2,6-dichlorophenyl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
CID 134470036
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342
2,4-dichloro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340977

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide (CID 3816337) is N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide is O=C(NOCc1c(Cl)cccc1Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is MVDSUFBZYFTSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F6NO4/c19-13-2-1-3-14(20)12(13)7-31-27-16(28)11-6-10(29-8-17(21,22)23)4-5-15(11)30-9-18(24,25)26/h1-6H,7-9H2,(H,27,28).
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide?
N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 492.20 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methoxy]-2,5-bis(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 3816337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).