2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide

C19H24ClNO — CID 8934558

IUPAC2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1Cl
InChIInChI=1S/C19H24ClNO/c20-17-4-2-1-3-16(17)12-21-18(22)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeySEWJIKBRALADEA-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.56
Rot. Bonds4

About 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide

2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 8934558) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID8934558
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1Cl
InChIInChI=1S/C19H24ClNO/c20-17-4-2-1-3-16(17)12-21-18(22)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,21,22)
InChIKeySEWJIKBRALADEA-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
CID 7601493
1-(1-adamantyl)-3-[(2-chlorophenyl)methyl]thiourea
CID 2817295
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190874
N-[(2-chlorophenyl)methyl]adamantan-1-amine
CID 4719217
1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43397115
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
2-(1-adamantyl)-N-[2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]acetamide
CID 27800102
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 9165301
2-(1-adamantyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 131949848

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide (CID 8934558) is 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1Cl.
What is the InChIKey of 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is SEWJIKBRALADEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c20-17-4-2-1-3-16(17)12-21-18(22)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-12H2,(H,21,22).
What are the key properties of 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide?
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 317.86 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 8934558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).