2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide

C14H17F3N2O4 — CID 108542900

IUPAC2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
SMILESCOCCOCC(=O)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O4/c1-22-6-7-23-8-11(20)18-4-5-19-14(21)9-2-3-10(15)13(17)12(9)16/h2-3H,4-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyOQWVDLPAHRDNTD-UHFFFAOYSA-N
MW334.29 g/mol
LogP0.61
Rot. Bonds9

About 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide

2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide (PubChem CID 108542900) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
PubChem CID108542900
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
SMILESCOCCOCC(=O)NCCNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O4/c1-22-6-7-23-8-11(20)18-4-5-19-14(21)9-2-3-10(15)13(17)12(9)16/h2-3H,4-8H2,1H3,(H,18,20)(H,19,21)
InChIKeyOQWVDLPAHRDNTD-UHFFFAOYSA-N
XLogP0.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108540085
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
N-[2-(3-chloropropanoylamino)ethyl]-2,3,4-trifluorobenzamide
CID 108574420
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
butyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574426
N-[3-(2-chloroethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171307
N-(4-bromobutyl)-2,3,4-trifluorobenzamide
CID 106845799
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide (CID 108542900) is 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide is COCCOCC(=O)NCCNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide?
The InChIKey is OQWVDLPAHRDNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c1-22-6-7-23-8-11(20)18-4-5-19-14(21)9-2-3-10(15)13(17)12(9)16/h2-3H,4-8H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide?
2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide has a molecular weight of 334.29 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 108542900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).