3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide

C16H16FN3O2 — CID 78866555

IUPAC3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide
SMILESCc1c(NCC(=O)Nc2ccccc2F)cccc1C(N)=O
InChIInChI=1S/C16H16FN3O2/c1-10-11(16(18)22)5-4-8-13(10)19-9-15(21)20-14-7-3-2-6-12(14)17/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21)
InChIKeyRHFHJXYHEIQOLC-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.28
Rot. Bonds5

About 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide

3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide (PubChem CID 78866555) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide
PubChem CID78866555
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide
SMILESCc1c(NCC(=O)Nc2ccccc2F)cccc1C(N)=O
InChIInChI=1S/C16H16FN3O2/c1-10-11(16(18)22)5-4-8-13(10)19-9-15(21)20-14-7-3-2-6-12(14)17/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21)
InChIKeyRHFHJXYHEIQOLC-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
CID 60537419
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
CID 78987092
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
2-(2,6-dimethylanilino)-N-(2-fluorophenyl)acetamide
CID 54818107
2-(2-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 9105155
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
2-[2-(dimethylamino)anilino]-N-(2-fluorophenyl)acetamide
CID 106759760
3-[[2-(4-butan-2-ylanilino)-2-oxoethyl]amino]-2-methylbenzamide
CID 87028988
N-(2-fluorophenyl)-2-[2-(methoxymethyl)anilino]acetamide
CID 61062982
N'-(2-fluorophenyl)propanediamide
CID 70002209

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide?
The IUPAC name of 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide (CID 78866555) is 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide.
What is the SMILES notation for 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide?
The canonical SMILES for 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide is Cc1c(NCC(=O)Nc2ccccc2F)cccc1C(N)=O.
What is the InChIKey of 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide?
The InChIKey is RHFHJXYHEIQOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-10-11(16(18)22)5-4-8-13(10)19-9-15(21)20-14-7-3-2-6-12(14)17/h2-8,19H,9H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide?
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide has a molecular weight of 301.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide is sourced from PubChem (CID 78866555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).