N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide

C14H18FNO2 — CID 91918187

IUPACN-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCc1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)10-16-14(17)9-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9-10H2,(H,16,17)
InChIKeyIWQCBPHAGLITLH-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.26
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide

N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 91918187) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide
PubChem CID91918187
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)NCc1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)10-16-14(17)9-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9-10H2,(H,16,17)
InChIKeyIWQCBPHAGLITLH-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide (CID 91918187) is N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is IWQCBPHAGLITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)10-16-14(17)9-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9-10H2,(H,16,17).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide?
N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 251.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 91918187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).