3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

C14H18F3NO3 — CID 63188742

IUPAC3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H18F3NO3/c1-20-6-3-4-18(5-7-21-2)14(19)10-8-11(15)13(17)12(16)9-10/h8-9H,3-7H2,1-2H3
InChIKeyUUZSNYXUJMCQCN-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.23
Rot. Bonds8

About 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide

3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (PubChem CID 63188742) has the molecular formula C14H18F3NO3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
PubChem CID63188742
Molecular FormulaC14H18F3NO3
Molecular Weight305.30 g/mol
Exact Mass305.12
IUPAC Name3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
SMILESCOCCCN(CCOC)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H18F3NO3/c1-20-6-3-4-18(5-7-21-2)14(19)10-8-11(15)13(17)12(16)9-10/h8-9H,3-7H2,1-2H3
InChIKeyUUZSNYXUJMCQCN-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

N,N-dibutyl-3,4,5-trifluorobenzamide
CID 63188520
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
N-(3-aminopropyl)-N-ethyl-3,4,5-trifluorobenzamide
CID 63183829
4-chloro-N-(2-chloroethyl)-3-fluoro-N-(2-methoxyethyl)benzamide
CID 107994173

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide (CID 63188742) is 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is COCCCN(CCOC)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
The InChIKey is UUZSNYXUJMCQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO3/c1-20-6-3-4-18(5-7-21-2)14(19)10-8-11(15)13(17)12(16)9-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide?
3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide has a molecular weight of 305.30 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 63188742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).