2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide

C18H22ClNO2 — CID 71524756

IUPAC2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
SMILESO=C(CC12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2)NO
InChIInChI=1S/C18H22ClNO2/c19-15-3-1-14(2-4-15)18-8-12-5-13(9-18)7-17(6-12,11-18)10-16(21)20-22/h1-4,12-13,22H,5-11H2,(H,20,21)/t12-,13+,17?,18?
InChIKeyONPVMOALGKWBBR-NLKGSNSHSA-N
MW319.83 g/mol
LogP4.07
Rot. Bonds3

About 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide

2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide (PubChem CID 71524756) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
PubChem CID71524756
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide
SMILESO=C(CC12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2)NO
InChIInChI=1S/C18H22ClNO2/c19-15-3-1-14(2-4-15)18-8-12-5-13(9-18)7-17(6-12,11-18)10-16(21)20-22/h1-4,12-13,22H,5-11H2,(H,20,21)/t12-,13+,17?,18?
InChIKeyONPVMOALGKWBBR-NLKGSNSHSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-[(5R,7S)-3-(4-nitrophenyl)-1-adamantyl]acetamide
CID 71524758
N-methyl-2-[(5S,7S)-3-(4-methylphenyl)-1-adamantyl]acetamide
CID 98145472
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 27835435
N-[2-(dimethylamino)ethyl]-2-[(5R,7S)-3-phenyl-1-adamantyl]acetamide
CID 974905
N-[[3-(4-chlorophenyl)-1-adamantyl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 15981922
3-(4-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]adamantane-1-carboxamide
CID 15983462
(7S)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
CID 71587865
(E)-3-[3-(4-chlorophenyl)-1-adamantyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 15982684
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-phenyl-1-adamantyl)acetamide
CID 153310944
2-[3-(4-methylphenyl)-1-adamantyl]-1-pyrrolidin-1-ylethanone
CID 4627883
2-(1-adamantyl)-N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]acetamide
CID 27646790

Frequently Asked Questions

What is the IUPAC name of 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide?
The IUPAC name of 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide (CID 71524756) is 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide?
The canonical SMILES for 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide is O=C(CC12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2)NO.
What is the InChIKey of 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide?
The InChIKey is ONPVMOALGKWBBR-NLKGSNSHSA-N. The full InChI is InChI=1S/C18H22ClNO2/c19-15-3-1-14(2-4-15)18-8-12-5-13(9-18)7-17(6-12,11-18)10-16(21)20-22/h1-4,12-13,22H,5-11H2,(H,20,21)/t12-,13+,17?,18?.
What are the key properties of 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide?
2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide has a molecular weight of 319.83 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R,7S)-3-(4-chlorophenyl)-1-adamantyl]-N-hydroxyacetamide is sourced from PubChem (CID 71524756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).