N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide

C21H26ClN3O3 — CID 34573326

IUPACN-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O3/c22-17-3-1-13(2-4-17)8-18(26)24-25-19(27)12-23-20(28)21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,14-16H,5-12H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyHKKOGYAQESMTDQ-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.36
Rot. Bonds5

About N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 34573326) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID34573326
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC NameN-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
SMILESO=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H26ClN3O3/c22-17-3-1-13(2-4-17)8-18(26)24-25-19(27)12-23-20(28)21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,14-16H,5-12H2,(H,23,28)(H,24,26)(H,25,27)
InChIKeyHKKOGYAQESMTDQ-UHFFFAOYSA-N
XLogP2.36
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(4-methoxyphenyl)acetyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 31835828
N'-(2-chloroacetyl)-2-(4-chlorophenyl)acetohydrazide
CID 82121554
N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16866721
2-(1-adamantyl)-N-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 4820820
N-[2-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 39048961
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 41259667
N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4272952
N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide
CID 4807831
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7978653
N-[2-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide
CID 46799227

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide (CID 34573326) is N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide is O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is HKKOGYAQESMTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c22-17-3-1-13(2-4-17)8-18(26)24-25-19(27)12-23-20(28)21-9-14-5-15(10-21)7-16(6-14)11-21/h1-4,14-16H,5-12H2,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 34573326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).