N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide

C23H22FNO2 — CID 27450154

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C23H22FNO2/c24-19-10-8-18(9-11-19)23(12-14-27-15-13-23)16-25-22(26)21-7-3-5-17-4-1-2-6-20(17)21/h1-11H,12-16H2,(H,25,26)
InChIKeyUFAOSUXPQUEMLY-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.46
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide (PubChem CID 27450154) has the molecular formula C23H22FNO2 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide
PubChem CID27450154
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc2ccccc12
InChIInChI=1S/C23H22FNO2/c24-19-10-8-18(9-11-19)23(12-14-27-15-13-23)16-25-22(26)21-7-3-5-17-4-1-2-6-20(17)21/h1-11H,12-16H2,(H,25,26)
InChIKeyUFAOSUXPQUEMLY-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide (CID 27450154) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccc2ccccc12.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is UFAOSUXPQUEMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c24-19-10-8-18(9-11-19)23(12-14-27-15-13-23)16-25-22(26)21-7-3-5-17-4-1-2-6-20(17)21/h1-11H,12-16H2,(H,25,26).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 363.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 27450154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).