3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide

C15H21FN2O2 — CID 79928772

IUPAC3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide
SMILESCC1(C)CC(Nc2ccccc2F)(C(N)=O)C(C)(C)O1
InChIInChI=1S/C15H21FN2O2/c1-13(2)9-15(12(17)19,14(3,4)20-13)18-11-8-6-5-7-10(11)16/h5-8,18H,9H2,1-4H3,(H2,17,19)
InChIKeyCBNBRQRACPATOO-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.44
Rot. Bonds3

About 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide

3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide (PubChem CID 79928772) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide
PubChem CID79928772
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide
SMILESCC1(C)CC(Nc2ccccc2F)(C(N)=O)C(C)(C)O1
InChIInChI=1S/C15H21FN2O2/c1-13(2)9-15(12(17)19,14(3,4)20-13)18-11-8-6-5-7-10(11)16/h5-8,18H,9H2,1-4H3,(H2,17,19)
InChIKeyCBNBRQRACPATOO-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,5-tetramethyl-3-(2-methylanilino)oxolane-3-carboxylic acid
CID 79928539
3-(aminomethyl)-N-(2-fluorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927431
1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857270
3-(2-fluoroanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166201
4-(2-fluoroanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075891
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
1-(3-amino-2,2-dimethylcyclobutyl)-3-(2-fluorophenyl)urea
CID 114632529
1-(2-fluorophenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 112690764
1-(2-fluoroanilino)cyclohexane-1-carboxylate
CID 7158135
2-(2-fluoroanilino)-2-(2-fluorophenyl)propanamide
CID 60991023
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
[3-(2-chloroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
CID 79927246

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide?
The IUPAC name of 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide (CID 79928772) is 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide.
What is the SMILES notation for 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide?
The canonical SMILES for 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide is CC1(C)CC(Nc2ccccc2F)(C(N)=O)C(C)(C)O1.
What is the InChIKey of 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide?
The InChIKey is CBNBRQRACPATOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-13(2)9-15(12(17)19,14(3,4)20-13)18-11-8-6-5-7-10(11)16/h5-8,18H,9H2,1-4H3,(H2,17,19).
What are the key properties of 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide?
3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroanilino)-2,2,5,5-tetramethyloxolane-3-carboxamide is sourced from PubChem (CID 79928772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).