2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid

C10H11FN2O3 — CID 43466135

IUPAC2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)Nc1ccccc1F
InChIInChI=1S/C10H11FN2O3/c11-7-3-1-2-4-8(7)13-9(14)5-12-6-10(15)16/h1-4,12H,5-6H2,(H,13,14)(H,15,16)
InChIKeyFIDTXHUXKLZJTO-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.44
Rot. Bonds5

About 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid

2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 43466135) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
PubChem CID43466135
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)Nc1ccccc1F
InChIInChI=1S/C10H11FN2O3/c11-7-3-1-2-4-8(7)13-9(14)5-12-6-10(15)16/h1-4,12H,5-6H2,(H,13,14)(H,15,16)
InChIKeyFIDTXHUXKLZJTO-UHFFFAOYSA-N
XLogP0.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-fluorophenyl)acetamide
CID 103820304
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
2-[[2-(2-aminoanilino)-2-oxoethyl]amino]-N-(2-aminophenyl)acetamide
CID 102158017
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83194252
N-(2-fluorophenyl)-2-[(2-methyl-2-methylsulfanylpropyl)amino]acetamide
CID 113478804
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid (CID 43466135) is 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid is O=C(O)CNCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is FIDTXHUXKLZJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-7-3-1-2-4-8(7)13-9(14)5-12-6-10(15)16/h1-4,12H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid?
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 226.21 g/mol, XLogP of 0.44, 5 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]acetic acid is sourced from PubChem (CID 43466135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).