4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide

C13H17FN2O3 — CID 112689546

IUPAC4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H17FN2O3/c1-9-7-10(3-4-11(9)14)13(18)16-8-12(17)15-5-6-19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXTDVZFAGRWTDQN-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.63
Rot. Bonds6

About 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide

4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 112689546) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
PubChem CID112689546
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H17FN2O3/c1-9-7-10(3-4-11(9)14)13(18)16-8-12(17)15-5-6-19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyXTDVZFAGRWTDQN-UHFFFAOYSA-N
XLogP0.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-3-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 81421514
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
CID 103855610
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928
N-(2-amino-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210073
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
2-fluoro-4-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 103941343
4-hydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbenzamide
CID 103956667
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide (CID 112689546) is 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide is COCCNC(=O)CNC(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is XTDVZFAGRWTDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-9-7-10(3-4-11(9)14)13(18)16-8-12(17)15-5-6-19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide?
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 268.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 112689546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).