2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride

C14H12F4N2O4 — CID 156579956

IUPAC2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride
SMILESO=C(F)CN(CC(=O)F)c1ccccc1N(CC(=O)F)CC(=O)F
InChIInChI=1S/C14H12F4N2O4/c15-11(21)5-19(6-12(16)22)9-3-1-2-4-10(9)20(7-13(17)23)8-14(18)24/h1-4H,5-8H2
InChIKeyXGDRYAOEJQHWRC-UHFFFAOYSA-N
MW348.25 g/mol
LogP1.28
Rot. Bonds10

About 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride

2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride (PubChem CID 156579956) has the molecular formula C14H12F4N2O4 and a molecular weight of 348.25 g/mol. Its IUPAC name is 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride.

Molecular Properties

Compound Name2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride
PubChem CID156579956
Molecular FormulaC14H12F4N2O4
Molecular Weight348.25 g/mol
Exact Mass348.07
IUPAC Name2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride
SMILESO=C(F)CN(CC(=O)F)c1ccccc1N(CC(=O)F)CC(=O)F
InChIInChI=1S/C14H12F4N2O4/c15-11(21)5-19(6-12(16)22)9-3-1-2-4-10(9)20(7-13(17)23)8-14(18)24/h1-4H,5-8H2
InChIKeyXGDRYAOEJQHWRC-UHFFFAOYSA-N
XLogP1.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
2-[N-(carboxymethyl)-2-sulfanylanilino]acetic acid
CID 23422801
2-[N-(2-amino-2-oxoethyl)-2-(hydroxymethyl)anilino]acetamide
CID 62923312
2-[2-carboxy-N-(carboxylatomethyl)anilino]acetate
CID 21263475
CID 131879696
CID 131879696
2-[2-hydroxy-N-(2-methylpropyl)anilino]acetic acid
CID 138423714
2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
2-[N-(carboxymethyl)-2-cyano-3-fluoroanilino]acetic acid
CID 79513207
6-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]-3-[2-[bis(carboxymethyl)amino]phenyl]hexanoic acid
CID 59939825
2-[N-(2-aminoethyl)-2-(trifluoromethyl)anilino]acetic acid
CID 117013526
2-(2-amino-N-(2-amino-2-oxoethyl)-3-methylanilino)acetamide
CID 114041266

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride?
The IUPAC name of 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride (CID 156579956) is 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride.
What is the SMILES notation for 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride?
The canonical SMILES for 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride is O=C(F)CN(CC(=O)F)c1ccccc1N(CC(=O)F)CC(=O)F.
What is the InChIKey of 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride?
The InChIKey is XGDRYAOEJQHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O4/c15-11(21)5-19(6-12(16)22)9-3-1-2-4-10(9)20(7-13(17)23)8-14(18)24/h1-4H,5-8H2.
What are the key properties of 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride?
2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride has a molecular weight of 348.25 g/mol, XLogP of 1.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-fluoro-2-oxoethyl)amino]-N-(2-fluoro-2-oxoethyl)anilino]acetyl fluoride is sourced from PubChem (CID 156579956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).