3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide

C13H16F2N2O2 — CID 64892108

IUPAC3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O2/c1-8(9-2-3-10(14)11(15)6-9)17-12(18)13(16)4-5-19-7-13/h2-3,6,8H,4-5,7,16H2,1H3,(H,17,18)
InChIKeyIWYQBEIOTNUQDF-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.26
Rot. Bonds3

About 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide

3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide (PubChem CID 64892108) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
PubChem CID64892108
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O2/c1-8(9-2-3-10(14)11(15)6-9)17-12(18)13(16)4-5-19-7-13/h2-3,6,8H,4-5,7,16H2,1H3,(H,17,18)
InChIKeyIWYQBEIOTNUQDF-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119686347
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
3-amino-N-[1-(2,6-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892539
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64891134
3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64891934
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958
3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
CID 64891106
3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64892125
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide (CID 64892108) is 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide is CC(NC(=O)C1(N)CCOC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is IWYQBEIOTNUQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8(9-2-3-10(14)11(15)6-9)17-12(18)13(16)4-5-19-7-13/h2-3,6,8H,4-5,7,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide?
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).