N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide

C14H20FNO2 — CID 79796351

IUPACN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C14H20FNO2/c1-4-16(8-9-18-5-2)14(17)12-7-6-11(3)10-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyVNRRHVUJVKTCBO-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.63
Rot. Bonds6

About N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide

N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide (PubChem CID 79796351) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
PubChem CID79796351
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C14H20FNO2/c1-4-16(8-9-18-5-2)14(17)12-7-6-11(3)10-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyVNRRHVUJVKTCBO-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide (CID 79796351) is N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide is CCOCCN(CC)C(=O)c1ccc(C)cc1F.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide?
The InChIKey is VNRRHVUJVKTCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-16(8-9-18-5-2)14(17)12-7-6-11(3)10-13(12)15/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide?
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 79796351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).