N-[4-(3-fluorophenyl)oxan-4-yl]formamide

C12H14FNO2 — CID 175327323

IUPACN-[4-(3-fluorophenyl)oxan-4-yl]formamide
SMILESO=CNC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C12H14FNO2/c13-11-3-1-2-10(8-11)12(14-9-15)4-6-16-7-5-12/h1-3,8-9H,4-7H2,(H,14,15)
InChIKeyVLPKTMXHVUZWMB-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.58
Rot. Bonds3

About N-[4-(3-fluorophenyl)oxan-4-yl]formamide

N-[4-(3-fluorophenyl)oxan-4-yl]formamide (PubChem CID 175327323) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)oxan-4-yl]formamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)oxan-4-yl]formamide
PubChem CID175327323
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-[4-(3-fluorophenyl)oxan-4-yl]formamide
SMILESO=CNC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C12H14FNO2/c13-11-3-1-2-10(8-11)12(14-9-15)4-6-16-7-5-12/h1-3,8-9H,4-7H2,(H,14,15)
InChIKeyVLPKTMXHVUZWMB-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
4-(3-fluorophenyl)-N-(2-propylsulfonylethyl)oxan-4-amine
CID 75431186
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 99819235
(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
CID 75407979
N-[4-(3-fluorophenyl)oxan-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993748
1-(3-fluoro-4-methylphenyl)-N-[4-(3-fluorophenyl)oxan-4-yl]methanesulfonamide
CID 154741090
2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
CID 119187111
N-(1-phenylcyclobutyl)formamide
CID 110477150
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)oxan-4-yl]formamide?
The IUPAC name of N-[4-(3-fluorophenyl)oxan-4-yl]formamide (CID 175327323) is N-[4-(3-fluorophenyl)oxan-4-yl]formamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)oxan-4-yl]formamide?
The canonical SMILES for N-[4-(3-fluorophenyl)oxan-4-yl]formamide is O=CNC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[4-(3-fluorophenyl)oxan-4-yl]formamide?
The InChIKey is VLPKTMXHVUZWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-3-1-2-10(8-11)12(14-9-15)4-6-16-7-5-12/h1-3,8-9H,4-7H2,(H,14,15).
What are the key properties of N-[4-(3-fluorophenyl)oxan-4-yl]formamide?
N-[4-(3-fluorophenyl)oxan-4-yl]formamide has a molecular weight of 223.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)oxan-4-yl]formamide is sourced from PubChem (CID 175327323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).