(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide

C14H18FNO2 — CID 96587677

IUPAC(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)[C@H]1CCCCO1
InChIInChI=1S/C14H18FNO2/c15-12-6-4-11(5-7-12)8-9-16-14(17)13-3-1-2-10-18-13/h4-7,13H,1-3,8-10H2,(H,16,17)/t13-/m1/s1
InChIKeyNHLQSZPJADVMLV-CYBMUJFWSA-N
MW251.30 g/mol
LogP2.05
Rot. Bonds4

About (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide

(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide (PubChem CID 96587677) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
PubChem CID96587677
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)[C@H]1CCCCO1
InChIInChI=1S/C14H18FNO2/c15-12-6-4-11(5-7-12)8-9-16-14(17)13-3-1-2-10-18-13/h4-7,13H,1-3,8-10H2,(H,16,17)/t13-/m1/s1
InChIKeyNHLQSZPJADVMLV-CYBMUJFWSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]oxolane-2-carboxamide
CID 113055726
4-[2-(oxane-2-carbonylamino)ethyl]benzenesulfonyl chloride
CID 62213685
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
N-[2-(4-cyclopentylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790725
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107
N-[2-(4-nitrophenyl)ethyl]oxolane-2-carboxamide
CID 110294429
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]oxolane-2-carboxamide
CID 113028252
N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
CID 115747744
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
(2S)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 51725560

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide (CID 96587677) is (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide is O=C(NCCc1ccc(F)cc1)[C@H]1CCCCO1.
What is the InChIKey of (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide?
The InChIKey is NHLQSZPJADVMLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-12-6-4-11(5-7-12)8-9-16-14(17)13-3-1-2-10-18-13/h4-7,13H,1-3,8-10H2,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide?
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide is sourced from PubChem (CID 96587677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).