2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide

C19H24ClNO2 — CID 2959876

IUPAC2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNO2/c1-23-17-3-2-15(20)7-16(17)21-18(22)11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,22)
InChIKeyOUDLOMDTJNHNBN-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.89
Rot. Bonds4

About 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 2959876) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID2959876
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNO2/c1-23-17-3-2-15(20)7-16(17)21-18(22)11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,22)
InChIKeyOUDLOMDTJNHNBN-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1-adamantyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 108875476
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 7741033
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 98341333
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-[(5S,7S)-3-bromo-1-adamantyl]-N-(2-methoxyphenyl)acetamide
CID 98144134
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N'-[2-(1-adamantyl)acetyl]-2-(3-fluoro-4-methoxyphenyl)acetohydrazide
CID 9326362
2-[[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976520

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 2959876) is 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is OUDLOMDTJNHNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-23-17-3-2-15(20)7-16(17)21-18(22)11-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-11H2,1H3,(H,21,22).
What are the key properties of 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 333.86 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 2959876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).