2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide

C20H19F5N2O4 — CID 112790031

IUPAC2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C20H19F5N2O4/c1-3-9-27(10-15(28)26-13-8-7-12(21)16(22)17(13)23)19(29)11-5-4-6-14(30-2)18(11)31-20(24)25/h4-8,20H,3,9-10H2,1-2H3,(H,26,28)
InChIKeySAQRCIJLGVQKGL-UHFFFAOYSA-N
MW446.37 g/mol
LogP4.20
Rot. Bonds9

About 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide

2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide (PubChem CID 112790031) has the molecular formula C20H19F5N2O4 and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
PubChem CID112790031
Molecular FormulaC20H19F5N2O4
Molecular Weight446.37 g/mol
Exact Mass446.13
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C20H19F5N2O4/c1-3-9-27(10-15(28)26-13-8-7-12(21)16(22)17(13)23)19(29)11-5-4-6-14(30-2)18(11)31-20(24)25/h4-8,20H,3,9-10H2,1-2H3,(H,26,28)
InChIKeySAQRCIJLGVQKGL-UHFFFAOYSA-N
XLogP4.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethoxy)-N-ethyl-3-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 55344407
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 26730465
2-ethylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55382888
3-bromo-4-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773146
2-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 51143517
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 29403471
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113164628
3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 26730475

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide (CID 112790031) is 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cccc(OC)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide?
The InChIKey is SAQRCIJLGVQKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N2O4/c1-3-9-27(10-15(28)26-13-8-7-12(21)16(22)17(13)23)19(29)11-5-4-6-14(30-2)18(11)31-20(24)25/h4-8,20H,3,9-10H2,1-2H3,(H,26,28).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide?
2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide has a molecular weight of 446.37 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide is sourced from PubChem (CID 112790031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).