N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide

C18H20ClN3O4 — CID 108512826

IUPACN'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H20ClN3O4/c19-14-2-1-13(6-15(14)22(25)26)20-16(23)17(24)21-18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H,20,23)(H,21,24)
InChIKeyXXACKWQKNPROAA-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.27
Rot. Bonds3

About N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide

N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide (PubChem CID 108512826) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide
PubChem CID108512826
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC NameN'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H20ClN3O4/c19-14-2-1-13(6-15(14)22(25)26)20-16(23)17(24)21-18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H,20,23)(H,21,24)
InChIKeyXXACKWQKNPROAA-UHFFFAOYSA-N
XLogP3.27
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)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-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
[2-(1-adamantylamino)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 7471389
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The IUPAC name of N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide (CID 108512826) is N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide.
What is the SMILES notation for N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The canonical SMILES for N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide?
The InChIKey is XXACKWQKNPROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c19-14-2-1-13(6-15(14)22(25)26)20-16(23)17(24)21-18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H,20,23)(H,21,24).
What are the key properties of N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide?
N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide has a molecular weight of 377.83 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N-(4-chloro-3-nitrophenyl)oxamide is sourced from PubChem (CID 108512826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).