N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide

C26H30FNO2 — CID 7869927

IUPACN-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESC[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H30FNO2/c1-17(26-13-19-10-20(14-26)12-21(11-19)15-26)28-25(29)23-4-2-3-5-24(23)30-16-18-6-8-22(27)9-7-18/h2-9,17,19-21H,10-16H2,1H3,(H,28,29)/t17-,19?,20?,21?,26?/m0/s1
InChIKeyFCGCLNRWCPLDFY-MPVQEXEOSA-N
MW407.53 g/mol
LogP5.74
Rot. Bonds6

About N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide

N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 7869927) has the molecular formula C26H30FNO2 and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID7869927
Molecular FormulaC26H30FNO2
Molecular Weight407.53 g/mol
Exact Mass407.23
IUPAC NameN-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESC[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H30FNO2/c1-17(26-13-19-10-20(14-26)12-21(11-19)15-26)28-25(29)23-4-2-3-5-24(23)30-16-18-6-8-22(27)9-7-18/h2-9,17,19-21H,10-16H2,1H3,(H,28,29)/t17-,19?,20?,21?,26?/m0/s1
InChIKeyFCGCLNRWCPLDFY-MPVQEXEOSA-N
XLogP5.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(1-adamantyl)ethyl]-2,4-difluorobenzamide
CID 7689217
N-[(1S)-1-(1-adamantyl)ethyl]-2-(methanesulfonamido)benzamide
CID 94792798
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759013
2-[(4-fluorophenyl)methoxy]-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55887151
N-[(1R)-1-(1-adamantyl)ethyl]-2-methylsulfonylbenzamide
CID 7929248
2-[(4-fluorophenyl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120833129
N-[(1R)-1-(1-adamantyl)ethyl]-2,3-dimethylbenzamide
CID 7929646
1-[1-(1-adamantyl)ethyl]-3-[2-(4-phenylmethoxyphenyl)ethyl]urea
CID 68977304
N'-(1-cyclopropylideneethyl)-2-[(4-fluorophenyl)methoxy]benzohydrazide
CID 2415467
N-(2-amino-2-methylpropyl)-2-[(4-fluorophenyl)methoxy]benzamide;hydrochloride
CID 119626985
N-[(1R)-1-(1-adamantyl)ethyl]-2,4,5-trimethoxybenzamide
CID 7695324

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide (CID 7869927) is N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide is C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is FCGCLNRWCPLDFY-MPVQEXEOSA-N. The full InChI is InChI=1S/C26H30FNO2/c1-17(26-13-19-10-20(14-26)12-21(11-19)15-26)28-25(29)23-4-2-3-5-24(23)30-16-18-6-8-22(27)9-7-18/h2-9,17,19-21H,10-16H2,1H3,(H,28,29)/t17-,19?,20?,21?,26?/m0/s1.
What are the key properties of N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 407.53 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-adamantyl)ethyl]-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 7869927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).