2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C18H17F3N2O3 — CID 27786720

IUPAC2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O3/c1-3-26-14-7-5-4-6-11(14)18(25)23(2)10-15(24)22-13-9-8-12(19)16(20)17(13)21/h4-9H,3,10H2,1-2H3,(H,22,24)
InChIKeyLPIXLPHPQILIJV-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.21
Rot. Bonds6

About 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 27786720) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID27786720
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O3/c1-3-26-14-7-5-4-6-11(14)18(25)23(2)10-15(24)22-13-9-8-12(19)16(20)17(13)21/h4-9H,3,10H2,1-2H3,(H,22,24)
InChIKeyLPIXLPHPQILIJV-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-ethoxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2481404
1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108877405
N,2,5-trimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2450403
2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197970
N-[2-(2-bromoanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]-N-methylbenzamide
CID 25161549
2-methoxy-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]benzamide
CID 28918889
N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazine-2-carboxamide
CID 27786711
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7936390

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 27786720) is 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is CCOc1ccccc1C(=O)N(C)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is LPIXLPHPQILIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-3-26-14-7-5-4-6-11(14)18(25)23(2)10-15(24)22-13-9-8-12(19)16(20)17(13)21/h4-9H,3,10H2,1-2H3,(H,22,24).
What are the key properties of 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 27786720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).