N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide

C12H14FNO3 — CID 168652338

IUPACN-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide
SMILESO=CNc1ccc(OC2CCOCC2)c(F)c1
InChIInChI=1S/C12H14FNO3/c13-11-7-9(14-8-15)1-2-12(11)17-10-3-5-16-6-4-10/h1-2,7-8,10H,3-6H2,(H,14,15)
InChIKeyNNMAVCOQPFKFFU-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.95
Rot. Bonds4

About N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide

N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide (PubChem CID 168652338) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide
PubChem CID168652338
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC NameN-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide
SMILESO=CNc1ccc(OC2CCOCC2)c(F)c1
InChIInChI=1S/C12H14FNO3/c13-11-7-9(14-8-15)1-2-12(11)17-10-3-5-16-6-4-10/h1-2,7-8,10H,3-6H2,(H,14,15)
InChIKeyNNMAVCOQPFKFFU-UHFFFAOYSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(methylamino)-2-(oxan-4-yloxy)benzaldehyde
CID 163770124
3-fluoro-4-(oxan-4-yloxy)benzenesulfonyl chloride
CID 63935612
2-[3-fluoro-4-(oxan-4-yloxy)phenyl]propan-2-amine
CID 117386204
5-[[3-fluoro-4-(oxetan-3-yloxy)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168537955
3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-3-methylbutanoic acid
CID 117477574
(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
N-(1-amino-2-methylpropan-2-yl)-3-fluoro-4-(oxan-4-yloxy)benzenesulfonamide;hydrochloride
CID 126790151
1-[3-fluoro-4-(oxolan-3-yloxy)phenyl]ethanone
CID 63559449
N-[3-chloro-4-(oxan-4-yloxy)phenyl]prop-2-enamide
CID 150644180
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-3-fluorophenyl]formamide
CID 168651705
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
7-amino-N-(4-cyclobutyloxy-3-fluorophenyl)heptanamide;hydrochloride
CID 119811101

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide?
The IUPAC name of N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide (CID 168652338) is N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide.
What is the SMILES notation for N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide?
The canonical SMILES for N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide is O=CNc1ccc(OC2CCOCC2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide?
The InChIKey is NNMAVCOQPFKFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-11-7-9(14-8-15)1-2-12(11)17-10-3-5-16-6-4-10/h1-2,7-8,10H,3-6H2,(H,14,15).
What are the key properties of N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide?
N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide has a molecular weight of 239.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(oxan-4-yloxy)phenyl]formamide is sourced from PubChem (CID 168652338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).