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

C20H24F2N2O3 — CID 72719775

IUPACN'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)Nc2ccc(F)cc2F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H24F2N2O3/c1-27-20(13-5-11-4-12(7-13)8-14(20)6-11)10-23-18(25)19(26)24-17-3-2-15(21)9-16(17)22/h2-3,9,11-14H,4-8,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyUMSUNOSGNLXHKH-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.86
Rot. Bonds4

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

N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide (PubChem CID 72719775) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
PubChem CID72719775
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC NameN'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)Nc2ccc(F)cc2F)C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H24F2N2O3/c1-27-20(13-5-11-4-12(7-13)8-14(20)6-11)10-23-18(25)19(26)24-17-3-2-15(21)9-16(17)22/h2-3,9,11-14H,4-8,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyUMSUNOSGNLXHKH-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-N'-[(2-methoxy-2-adamantyl)methyl]oxamide
CID 90624346
N'-(2,4-difluorophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 7292792
N-[2-(diethylamino)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541482
N'-(2,4-difluorophenyl)-N-(2,4-dimethoxyphenyl)oxamide
CID 44998467
N'-(2,4-difluorophenyl)-N-[(3-fluoro-4-methylphenyl)methyl]oxamide
CID 86996766
1-N-(2,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133061
N'-(2,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)oxamide
CID 111121478
N'-(2,4-difluorophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892001
N-[2-(4-chlorophenyl)ethyl]-N'-(2,4-difluorophenyl)oxamide
CID 7541504
N-[(2-methoxy-2-adamantyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 90624100
N-[(4-chlorophenyl)methyl]-N'-(2,4-difluorophenyl)oxamide
CID 2986647
N-[4-(diethylamino)phenyl]-N'-(2,4-difluorophenyl)oxamide
CID 108530640

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The IUPAC name of N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide (CID 72719775) is N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The canonical SMILES for N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide is COC1(CNC(=O)C(=O)Nc2ccc(F)cc2F)C2CC3CC(C2)CC1C3.
What is the InChIKey of N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The InChIKey is UMSUNOSGNLXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-27-20(13-5-11-4-12(7-13)8-14(20)6-11)10-23-18(25)19(26)24-17-3-2-15(21)9-16(17)22/h2-3,9,11-14H,4-8,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide has a molecular weight of 378.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]oxamide is sourced from PubChem (CID 72719775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).