3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide

C12H14ClFN2O2 — CID 64892193

IUPAC3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2ccc(F)c(Cl)c2)CCOC1
InChIInChI=1S/C12H14ClFN2O2/c13-9-5-8(1-2-10(9)14)6-16-11(17)12(15)3-4-18-7-12/h1-2,5H,3-4,6-7,15H2,(H,16,17)
InChIKeyLJRLLIUCFNQSLX-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.21
Rot. Bonds3

About 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide

3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide (PubChem CID 64892193) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide
PubChem CID64892193
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCc2ccc(F)c(Cl)c2)CCOC1
InChIInChI=1S/C12H14ClFN2O2/c13-9-5-8(1-2-10(9)14)6-16-11(17)12(15)3-4-18-7-12/h1-2,5H,3-4,6-7,15H2,(H,16,17)
InChIKeyLJRLLIUCFNQSLX-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide (CID 64892193) is 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide is NC1(C(=O)NCc2ccc(F)c(Cl)c2)CCOC1.
What is the InChIKey of 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide?
The InChIKey is LJRLLIUCFNQSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c13-9-5-8(1-2-10(9)14)6-16-11(17)12(15)3-4-18-7-12/h1-2,5H,3-4,6-7,15H2,(H,16,17).
What are the key properties of 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide?
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide has a molecular weight of 272.71 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chloro-4-fluorophenyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).