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

C13H17FN2O3 — CID 61008384

IUPAC2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-2-7-16(9-13(18)19)8-12(17)15-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyIOBMBTHDVFXVSW-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.56
Rot. Bonds7

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

2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid (PubChem CID 61008384) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
PubChem CID61008384
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1ccccc1F
InChIInChI=1S/C13H17FN2O3/c1-2-7-16(9-13(18)19)8-12(17)15-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyIOBMBTHDVFXVSW-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,6-difluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008696
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008517
2-[[2-(2-nitroanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61008367
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
N-(2-fluorophenyl)-N',N'-dipropylpropanediamide
CID 108952439
2-[ethyl(3-hydroxypropyl)amino]-N-(2-fluorophenyl)acetamide
CID 113246293
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
CID 9038815
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
3-[[2-(2-fluoroanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326624
2-[ethylsulfonyl(methyl)amino]-N-(2-fluorophenyl)acetamide
CID 99818124
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-(2-fluorophenyl)acetamide
CID 60729755
N-(2-fluorophenyl)butanamide
CID 849021

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid (CID 61008384) is 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid is CCCN(CC(=O)O)CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid?
The InChIKey is IOBMBTHDVFXVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-2-7-16(9-13(18)19)8-12(17)15-11-6-4-3-5-10(11)14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid?
2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid has a molecular weight of 268.29 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluoroanilino)-2-oxoethyl]-propylamino]acetic acid is sourced from PubChem (CID 61008384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).