N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide

C20H24ClFN2O2 — CID 108509156

IUPACN'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24ClFN2O2/c1-11(20-8-12-4-13(9-20)6-14(5-12)10-20)23-18(25)19(26)24-15-2-3-17(22)16(21)7-15/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRANYFOSGXRTBAO-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.14
Rot. Bonds3

About N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide

N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide (PubChem CID 108509156) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide
PubChem CID108509156
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC NameN'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24ClFN2O2/c1-11(20-8-12-4-13(9-20)6-14(5-12)10-20)23-18(25)19(26)24-15-2-3-17(22)16(21)7-15/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRANYFOSGXRTBAO-UHFFFAOYSA-N
XLogP4.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
N-[1-(1-adamantyl)ethyl]-3,4-difluoroaniline
CID 43111044
1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 108875476
N'-[1-(1-adamantyl)ethyl]-N-(2-carbamoylphenyl)oxamide
CID 108509141
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
N-[1-(1-adamantyl)ethyl]-3-chloro-4-methylbenzamide
CID 3608533
(2R)-2-acetamido-N-(3-chloro-4-fluorophenyl)propanamide
CID 51648206
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide?
The IUPAC name of N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide (CID 108509156) is N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide?
The canonical SMILES for N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide is CC(NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide?
The InChIKey is RANYFOSGXRTBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O2/c1-11(20-8-12-4-13(9-20)6-14(5-12)10-20)23-18(25)19(26)24-15-2-3-17(22)16(21)7-15/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide?
N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide has a molecular weight of 378.88 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-adamantyl)ethyl]-N-(3-chloro-4-fluorophenyl)oxamide is sourced from PubChem (CID 108509156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).