3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide

C13H17FN2O3 — CID 35350643

IUPAC3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
SMILESCOCC(=O)NCCNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H17FN2O3/c1-9-3-4-10(7-11(9)14)13(18)16-6-5-15-12(17)8-19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKXYMRDFSOSZHMF-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.63
Rot. Bonds6

About 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide

3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide (PubChem CID 35350643) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
PubChem CID35350643
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
SMILESCOCC(=O)NCCNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C13H17FN2O3/c1-9-3-4-10(7-11(9)14)13(18)16-6-5-15-12(17)8-19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyKXYMRDFSOSZHMF-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

3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496
3-fluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]-4-methylbenzamide
CID 33327149
3-fluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-4-methylbenzamide
CID 33326769
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
N-[2-[(2,5-difluorobenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33321847
3-fluoro-4-methyl-N-[2-(propan-2-ylcarbamoylamino)ethyl]benzamide
CID 36506645

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide (CID 35350643) is 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide is COCC(=O)NCCNC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is KXYMRDFSOSZHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-9-3-4-10(7-11(9)14)13(18)16-6-5-15-12(17)8-19-2/h3-4,7H,5-6,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide?
3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-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 3-fluoro-N-[2-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 35350643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).