N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide

C21H27FN2O3 — CID 72719772

IUPACN-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NCc2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H27FN2O3/c1-27-21(16-7-14-6-15(9-16)10-17(21)8-14)12-24-20(26)19(25)23-11-13-2-4-18(22)5-3-13/h2-5,14-17H,6-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWIZLIOUFBSJQIL-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.40
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide

N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide (PubChem CID 72719772) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
PubChem CID72719772
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NCc2ccc(F)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H27FN2O3/c1-27-21(16-7-14-6-15(9-16)10-17(21)8-14)12-24-20(26)19(25)23-11-13-2-4-18(22)5-3-13/h2-5,14-17H,6-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyWIZLIOUFBSJQIL-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 72719775
1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide
CID 90624217
N'-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)oxamide
CID 44996845
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N-[(4-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
N'-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2178334
N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
CID 100732100
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
2-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792836
1-[(4-fluorophenyl)methyl]-3-[(3-methoxythiolan-3-yl)methyl]urea
CID 90584515

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide (CID 72719772) is N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide is COC1(CNC(=O)C(=O)NCc2ccc(F)cc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide?
The InChIKey is WIZLIOUFBSJQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-27-21(16-7-14-6-15(9-16)10-17(21)8-14)12-24-20(26)19(25)23-11-13-2-4-18(22)5-3-13/h2-5,14-17H,6-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide?
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide has a molecular weight of 374.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide is sourced from PubChem (CID 72719772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).