4-(4-fluorophenyl)-N-methyloxane-4-carboxamide

C13H16FNO2 — CID 47390571

IUPAC4-(4-fluorophenyl)-N-methyloxane-4-carboxamide
SMILESCNC(=O)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C13H16FNO2/c1-15-12(16)13(6-8-17-9-7-13)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyNVRJOSIFFSTAOX-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.62
Rot. Bonds2

About 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide

4-(4-fluorophenyl)-N-methyloxane-4-carboxamide (PubChem CID 47390571) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyloxane-4-carboxamide
PubChem CID47390571
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name4-(4-fluorophenyl)-N-methyloxane-4-carboxamide
SMILESCNC(=O)C1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C13H16FNO2/c1-15-12(16)13(6-8-17-9-7-13)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyNVRJOSIFFSTAOX-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Phenyl-tetrahydro-pyran-4-yl)-piperidin-1-yl-methanone
CID 649168
4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 2236132
N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
4-Phenyl-tetrahydro-pyran-4-carboxylic acid isopropylamide
CID 972737
N-{[4-(4-fluorophenyl)oxan-4-yl]methyl}cyclopentanecarboxamide
CID 27450040
N-[2-(dimethylamino)ethyl]-4-(2-methylphenyl)oxane-4-carboxamide
CID 53505375
[4-(3-Fluorophenyl)oxan-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 53512400
N-(2-methoxyethyl)-4-(2-methylphenyl)oxane-4-carboxamide
CID 53515673
1-[4-(4-Fluorophenyl)oxane-4-carbonyl]-1,4-diazepan-5-one
CID 56821183
N-[(4-Phenyloxan-4-YL)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
2,2-Dimethyl-3-[(4-phenyloxane-4-carbonyl)amino]propanoic acid
CID 75383839

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide (CID 47390571) is 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide is CNC(=O)C1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide?
The InChIKey is NVRJOSIFFSTAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15-12(16)13(6-8-17-9-7-13)10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide?
4-(4-fluorophenyl)-N-methyloxane-4-carboxamide has a molecular weight of 237.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 47390571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).