3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide

C13H17FN2O2 — CID 64892785

IUPAC3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-9(10-3-2-4-11(14)7-10)16-12(17)13(15)5-6-18-8-13/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17)
InChIKeyZMKPNKXIAJKFQQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.12
Rot. Bonds3

About 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide

3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide (PubChem CID 64892785) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
PubChem CID64892785
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1cccc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-9(10-3-2-4-11(14)7-10)16-12(17)13(15)5-6-18-8-13/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17)
InChIKeyZMKPNKXIAJKFQQ-UHFFFAOYSA-N
XLogP1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 81366451
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
3-amino-N-[1-(2,6-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892539
3-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64892125
3-amino-N-[1-(2-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64891934
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 115295227
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64891134
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide (CID 64892785) is 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide is CC(NC(=O)C1(N)CCOC1)c1cccc(F)c1.
What is the InChIKey of 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide?
The InChIKey is ZMKPNKXIAJKFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9(10-3-2-4-11(14)7-10)16-12(17)13(15)5-6-18-8-13/h2-4,7,9H,5-6,8,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide?
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.12, 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-fluorophenyl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).