3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide

C13H16ClFN2O2 — CID 64891745

IUPAC3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H16ClFN2O2/c1-17(12(18)13(16)5-6-19-8-13)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8,16H2,1H3
InChIKeyPJUWLGSJTMGLPW-UHFFFAOYSA-N
MW286.73 g/mol
LogP1.56
Rot. Bonds3

About 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide

3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide (PubChem CID 64891745) has the molecular formula C13H16ClFN2O2 and a molecular weight of 286.73 g/mol. Its IUPAC name is 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
PubChem CID64891745
Molecular FormulaC13H16ClFN2O2
Molecular Weight286.73 g/mol
Exact Mass286.09
IUPAC Name3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)C1(N)CCOC1
InChIInChI=1S/C13H16ClFN2O2/c1-17(12(18)13(16)5-6-19-8-13)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8,16H2,1H3
InChIKeyPJUWLGSJTMGLPW-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide (CID 64891745) is 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is PJUWLGSJTMGLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2/c1-17(12(18)13(16)5-6-19-8-13)7-9-10(14)3-2-4-11(9)15/h2-4H,5-8,16H2,1H3.
What are the key properties of 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide?
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 286.73 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 64891745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).