2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide

C13H19FN2O2 — CID 63698396

IUPAC2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
SMILESCCOCCN(CC)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2/c1-3-16(7-8-18-4-2)13(17)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyORIXHHHSIBFFCI-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.91
Rot. Bonds6

About 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide

2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide (PubChem CID 63698396) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
PubChem CID63698396
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
SMILESCCOCCN(CC)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2/c1-3-16(7-8-18-4-2)13(17)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKeyORIXHHHSIBFFCI-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
CID 63690620
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
2-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63692374
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide (CID 63698396) is 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide is CCOCCN(CC)C(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide?
The InChIKey is ORIXHHHSIBFFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-16(7-8-18-4-2)13(17)11-9-10(14)5-6-12(11)15/h5-6,9H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide?
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide has a molecular weight of 254.31 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide is sourced from PubChem (CID 63698396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).