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

C14H19FN2O3 — CID 51108496

IUPAC3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
SMILESCOCCC(=O)NCCNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C14H19FN2O3/c1-10-3-4-11(9-12(10)15)14(19)17-7-6-16-13(18)5-8-20-2/h3-4,9H,5-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIWILAMQGRYUQEY-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.02
Rot. Bonds7

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

3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide (PubChem CID 51108496) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
PubChem CID51108496
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
SMILESCOCCC(=O)NCCNC(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C14H19FN2O3/c1-10-3-4-11(9-12(10)15)14(19)17-7-6-16-13(18)5-8-20-2/h3-4,9H,5-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIWILAMQGRYUQEY-UHFFFAOYSA-N
XLogP1.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.02
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-[(2-methoxyacetyl)amino]ethyl]-4-methylbenzamide
CID 35350643
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
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
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide
CID 47078971
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[2-(2-bromoethoxy)ethyl]-3-fluoro-4-methylbenzamide
CID 114309408
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide?
The IUPAC name of 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide (CID 51108496) is 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide is COCCC(=O)NCCNC(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide?
The InChIKey is IWILAMQGRYUQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10-3-4-11(9-12(10)15)14(19)17-7-6-16-13(18)5-8-20-2/h3-4,9H,5-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide?
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide has a molecular weight of 282.31 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 51108496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).