N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide

C12H14ClFN2O2 — CID 66267348

IUPACN-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O2/c1-15-11-6-18-5-8(11)12(17)16-10-3-2-7(14)4-9(10)13/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)
InChIKeyPFJZWLIAJMOXFW-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.65
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide

N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66267348) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66267348
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O2/c1-15-11-6-18-5-8(11)12(17)16-10-3-2-7(14)4-9(10)13/h2-4,8,11,15H,5-6H2,1H3,(H,16,17)
InChIKeyPFJZWLIAJMOXFW-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66267348) is N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is PFJZWLIAJMOXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c1-15-11-6-18-5-8(11)12(17)16-10-3-2-7(14)4-9(10)13/h2-4,8,11,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 272.71 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66267348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).