N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

C14H22FNO2 — CID 170550527

IUPACN-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1CCOC(F)C1)C1CC2CCC1C2
InChIInChI=1S/C14H22FNO2/c15-13-7-10(3-4-18-13)8-16-14(17)12-6-9-1-2-11(12)5-9/h9-13H,1-8H2,(H,16,17)
InChIKeyDNHUSWLLNACPGD-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.26
Rot. Bonds3

About N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 170550527) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID170550527
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC NameN-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1CCOC(F)C1)C1CC2CCC1C2
InChIInChI=1S/C14H22FNO2/c15-13-7-10(3-4-18-13)8-16-14(17)12-6-9-1-2-11(12)5-9/h9-13H,1-8H2,(H,16,17)
InChIKeyDNHUSWLLNACPGD-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
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-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 170550527) is N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC1CCOC(F)C1)C1CC2CCC1C2.
What is the InChIKey of N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is DNHUSWLLNACPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c15-13-7-10(3-4-18-13)8-16-14(17)12-6-9-1-2-11(12)5-9/h9-13H,1-8H2,(H,16,17).
What are the key properties of N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 255.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 170550527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).