2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide

C14H20FN3O2 — CID 115745553

IUPAC2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCC(=O)Nc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-10(2)7-17-13(19)8-16-9-14(20)18-12-6-4-3-5-11(12)15/h3-6,10,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZJOONYLTZGXBJL-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.13
Rot. Bonds7

About 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide

2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 115745553) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
PubChem CID115745553
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNCC(=O)Nc1ccccc1F
InChIInChI=1S/C14H20FN3O2/c1-10(2)7-17-13(19)8-16-9-14(20)18-12-6-4-3-5-11(12)15/h3-6,10,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZJOONYLTZGXBJL-UHFFFAOYSA-N
XLogP1.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 28568733
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-fluorophenyl)acetamide
CID 103820304
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
1-N-(2-fluorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131515
N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide
CID 106010205
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide (CID 115745553) is 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is ZJOONYLTZGXBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-10(2)7-17-13(19)8-16-9-14(20)18-12-6-4-3-5-11(12)15/h3-6,10,16H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide?
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 281.33 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 115745553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).