2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide

C21H26ClNO2 — CID 108764701

IUPAC2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C21H26ClNO2/c22-16-1-2-19-17(8-16)18(3-4-25-19)23-20(24)12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15,18H,3-7,9-12H2,(H,23,24)
InChIKeyWHMUYSYXMAZWMQ-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.89
Rot. Bonds3

About 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide

2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide (PubChem CID 108764701) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
PubChem CID108764701
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NC1CCOc2ccc(Cl)cc21
InChIInChI=1S/C21H26ClNO2/c22-16-1-2-19-17(8-16)18(3-4-25-19)23-20(24)12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15,18H,3-7,9-12H2,(H,23,24)
InChIKeyWHMUYSYXMAZWMQ-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18192975
4-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764686
3-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-1,1-diethylurea
CID 108742260
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(1-adamantyl)acetamide
CID 108754425
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108742267
2-chloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)propanamide
CID 108742262
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-2,3,4-trifluorobenzamide
CID 108742241
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-chloroacetamide
CID 167888581
3,4-dichloro-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)benzamide
CID 108764672
N-[(4R)-6-chloro-3,4-dihydro-2H-chromen-4-yl]-2-dibenzofuran-2-ylacetamide
CID 68795382
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108764722

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide (CID 108764701) is 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NC1CCOc2ccc(Cl)cc21.
What is the InChIKey of 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide?
The InChIKey is WHMUYSYXMAZWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO2/c22-16-1-2-19-17(8-16)18(3-4-25-19)23-20(24)12-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-2,8,13-15,18H,3-7,9-12H2,(H,23,24).
What are the key properties of 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide?
2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide has a molecular weight of 359.90 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)acetamide is sourced from PubChem (CID 108764701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).