N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide

C14H20FNO2 — CID 63692679

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

About N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide

N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide (PubChem CID 63692679) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
PubChem CID63692679
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide
SMILESCCOCCN(CC)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO2/c1-4-16(8-9-18-5-2)14(17)12-6-7-13(15)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyKLFYOUZLGHWTHD-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'}

Analyze N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
N-ethyl-4-fluoro-3-methyl-N-(2-phenylethyl)benzamide
CID 63213317
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63718241
N-(3-aminopropyl)-4-fluoro-N-(2-methoxyethyl)-3-methylbenzamide
CID 63287370
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
3-(2-aminoethyl)-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63697515
N-(2-bromoethyl)-4-fluoro-3-methyl-N-propylbenzamide
CID 80660124
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide (CID 63692679) is N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide is CCOCCN(CC)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide?
The InChIKey is KLFYOUZLGHWTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-4-16(8-9-18-5-2)14(17)12-6-7-13(15)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-methylbenzamide?
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-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-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 63692679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).