[1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

C18H16FN3O4 — CID 55646692

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCC(OC(=O)c1ccc(Cn2cccn2)o1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H16FN3O4/c1-12(17(23)21-15-6-3-2-5-14(15)19)25-18(24)16-8-7-13(26-16)11-22-10-4-9-20-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyWTLASBAMDCAVRO-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.85
Rot. Bonds6

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (PubChem CID 55646692) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
PubChem CID55646692
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
SMILESCC(OC(=O)c1ccc(Cn2cccn2)o1)C(=O)Nc1ccccc1F
InChIInChI=1S/C18H16FN3O4/c1-12(17(23)21-15-6-3-2-5-14(15)19)25-18(24)16-8-7-13(26-16)11-22-10-4-9-20-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyWTLASBAMDCAVRO-UHFFFAOYSA-N
XLogP2.85
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55648964
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(morpholin-4-ylmethyl)benzoate
CID 7768866
(1-anilino-1-oxopropan-2-yl) 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 47019047
[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23831746
[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate
CID 46687766
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477385
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 46788308
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646699
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate
CID 55646764

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate (CID 55646692) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is CC(OC(=O)c1ccc(Cn2cccn2)o1)C(=O)Nc1ccccc1F.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
The InChIKey is WTLASBAMDCAVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-12(17(23)21-15-6-3-2-5-14(15)19)25-18(24)16-8-7-13(26-16)11-22-10-4-9-20-22/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate has a molecular weight of 357.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 5-(pyrazol-1-ylmethyl)furan-2-carboxylate is sourced from PubChem (CID 55646692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).