N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide

C15H16FNO3 — CID 104780599

IUPACN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(C#CCO)c2)CCCO1
InChIInChI=1S/C15H16FNO3/c1-15(7-3-9-20-15)14(19)17-12-5-6-13(16)11(10-12)4-2-8-18/h5-6,10,18H,3,7-9H2,1H3,(H,17,19)
InChIKeySHBAMTXFDMXYLZ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.68
Rot. Bonds2

About N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide (PubChem CID 104780599) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide
PubChem CID104780599
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC NameN-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(F)c(C#CCO)c2)CCCO1
InChIInChI=1S/C15H16FNO3/c1-15(7-3-9-20-15)14(19)17-12-5-6-13(16)11(10-12)4-2-8-18/h5-6,10,18H,3,7-9H2,1H3,(H,17,19)
InChIKeySHBAMTXFDMXYLZ-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-2-methyloxolane-2-carboxamide
CID 82766741
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide
CID 81267896
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181364
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cycloheptanecarboxamide
CID 104780496
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanecarboxamide
CID 104780520
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,3-dimethylbutanamide
CID 104780549
ethyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 104780921
N-(6-bromonaphthalen-2-yl)-2-methyloxolane-2-carboxamide
CID 81003405
5-chloro-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 104780484
(2S)-N-(4-hydroxy-3-nitrophenyl)-2-methyloxolane-2-carboxamide
CID 99718443
propyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 112738643
2-ethoxy-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 104780485

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide?
The IUPAC name of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide (CID 104780599) is N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide is CC1(C(=O)Nc2ccc(F)c(C#CCO)c2)CCCO1.
What is the InChIKey of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide?
The InChIKey is SHBAMTXFDMXYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-15(7-3-9-20-15)14(19)17-12-5-6-13(16)11(10-12)4-2-8-18/h5-6,10,18H,3,7-9H2,1H3,(H,17,19).
What are the key properties of N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide?
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 104780599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).