N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide

C23H22FNO2 — CID 27450169

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22FNO2/c24-21-9-7-20(8-10-21)23(11-13-27-14-12-23)16-25-22(26)19-6-5-17-3-1-2-4-18(17)15-19/h1-10,15H,11-14,16H2,(H,25,26)
InChIKeyCKAUPTXWZWGPRG-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.46
Rot. Bonds4

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide (PubChem CID 27450169) 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-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide
PubChem CID27450169
Molecular FormulaC23H22FNO2
Molecular Weight363.43 g/mol
Exact Mass363.16
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22FNO2/c24-21-9-7-20(8-10-21)23(11-13-27-14-12-23)16-25-22(26)19-6-5-17-3-1-2-4-18(17)15-19/h1-10,15H,11-14,16H2,(H,25,26)
InChIKeyCKAUPTXWZWGPRG-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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Related Compounds

N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
3-Fluorophenylalanine derivative, 21a
CID 11441043
2,3-Difluorophenylalanine derivative, 23a
CID 44263414
4-[2-(Aminomethyl)naphthalen-1-Yl]-N-[2-(Morpholin-4-Yl)ethyl]benzamide
CID 56962331
4-fluoro-N-{1-[(6-fluoro-2-naphthyl)methyl]piperidin-4-yl}benzamide
CID 44452086
Naphthyl and Benzamide Derivative, 17
CID 44235657
N-{1-[(6-fluoro-2-naphthyl)methyl]piperidin-4-yl}benzamide
CID 2729098
Naphthalene-2-carboxylic acid (3,3-diphenyl-allyl)-amide
CID 44265914
4-fluoro-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
CID 44417839
3,4-difluoro-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
CID 44417841
3,4,5-trifluoro-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
CID 44417842
3,5-difluoro-N-(1-(naphthalen-2-ylmethyl)piperidin-4-yl)benzamide
CID 44417854

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide (CID 27450169) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is CKAUPTXWZWGPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO2/c24-21-9-7-20(8-10-21)23(11-13-27-14-12-23)16-25-22(26)19-6-5-17-3-1-2-4-18(17)15-19/h1-10,15H,11-14,16H2,(H,25,26).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-carboxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]naphthalene-2-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-2-carboxamide is sourced from PubChem (CID 27450169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).