N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide

C19H24Cl2NO2P — CID 4149625

IUPACN-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(P(=O)(Cl)Cl)(C3)C2)NCc1ccccc1
InChIInChI=1S/C19H24Cl2NO2P/c20-25(21,24)19-9-15-6-16(10-19)8-18(7-15,13-19)11-17(23)22-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,22,23)
InChIKeyMOMFGVZVUISOOQ-UHFFFAOYSA-N
MW400.29 g/mol
LogP5.70
Rot. Bonds5

About N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide

N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide (PubChem CID 4149625) has the molecular formula C19H24Cl2NO2P and a molecular weight of 400.29 g/mol. Its IUPAC name is N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide
PubChem CID4149625
Molecular FormulaC19H24Cl2NO2P
Molecular Weight400.29 g/mol
Exact Mass399.09
IUPAC NameN-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(C1)CC(P(=O)(Cl)Cl)(C3)C2)NCc1ccccc1
InChIInChI=1S/C19H24Cl2NO2P/c20-25(21,24)19-9-15-6-16(10-19)8-18(7-15,13-19)11-17(23)22-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,22,23)
InChIKeyMOMFGVZVUISOOQ-UHFFFAOYSA-N
XLogP5.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.29
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558
2-(1-adamantyl)-N-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]acetamide
CID 35512081
N-benzyl-2,4-bis(3-hydroxy-1-adamantyl)-3-oxobutanamide
CID 162639590
2-(3-hydroxy-1-adamantyl)-N-phenylacetamide
CID 18104229
(5S,7R)-N-benzyl-3-bromoadamantane-1-carboxamide
CID 2384610
N-[2-[[2-(1-adamantyl)acetyl]amino]ethyl]naphthalene-1-carboxamide
CID 108539739
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9270327
[[2-(1-adamantyl)-2,2-dideuterioacetyl]amino] N-benzylcarbamate
CID 72712581
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24549163

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide?
The IUPAC name of N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide (CID 4149625) is N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide?
The canonical SMILES for N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide is O=C(CC12CC3CC(C1)CC(P(=O)(Cl)Cl)(C3)C2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide?
The InChIKey is MOMFGVZVUISOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2NO2P/c20-25(21,24)19-9-15-6-16(10-19)8-18(7-15,13-19)11-17(23)22-12-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,22,23).
What are the key properties of N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide?
N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide has a molecular weight of 400.29 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-dichlorophosphoryl-1-adamantyl)acetamide is sourced from PubChem (CID 4149625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).