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

C23H30FNO2 — CID 27450003

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30FNO2/c24-20-3-1-19(2-4-20)22(5-7-27-8-6-22)15-25-21(26)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2,(H,25,26)
InChIKeyPLSAPMFXTVMNSL-UHFFFAOYSA-N
MW371.50 g/mol
LogP4.21
Rot. Bonds4

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

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide (PubChem CID 27450003) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
PubChem CID27450003
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCOCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30FNO2/c24-20-3-1-19(2-4-20)22(5-7-27-8-6-22)15-25-21(26)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2,(H,25,26)
InChIKeyPLSAPMFXTVMNSL-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182430
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877832
3-ethylsulfanyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 47070997
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide (CID 27450003) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCOCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide?
The InChIKey is PLSAPMFXTVMNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c24-20-3-1-19(2-4-20)22(5-7-27-8-6-22)15-25-21(26)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2,(H,25,26).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]adamantane-1-carboxamide has a molecular weight of 371.50 g/mol, XLogP of 4.21, 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]adamantane-1-carboxamide is sourced from PubChem (CID 27450003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).