2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide

C18H23ClN2O — CID 9032168

IUPAC2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1
InChIInChI=1S/C18H23ClN2O/c19-15-2-1-3-16(7-15)21-17(22)11-20-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,20H,4-6,8-11H2,(H,21,22)
InChIKeyJHLRVLFAMWMOCA-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.84
Rot. Bonds4

About 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide

2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide (PubChem CID 9032168) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
PubChem CID9032168
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1
InChIInChI=1S/C18H23ClN2O/c19-15-2-1-3-16(7-15)21-17(22)11-20-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,20H,4-6,8-11H2,(H,21,22)
InChIKeyJHLRVLFAMWMOCA-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantylamino)-N-(3-methoxyphenyl)acetamide
CID 7536728
2-(1-adamantylamino)-N-(2,6-dichlorophenyl)acetamide
CID 7536783
2-[(3-hydroxy-1-adamantyl)amino]-N-(3-methylphenyl)acetamide
CID 154930175
2-(1-adamantylamino)-N-(4-tert-butylphenyl)acetamide
CID 7666269
N-(3-chlorophenyl)-2-(cycloheptylamino)acetamide
CID 43236492
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
2-(1-adamantylamino)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 7666250
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
[2-(3-chloroanilino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 98306321
N-(3-chlorophenyl)-2-(1-cyclopropylethylamino)acetamide
CID 43401773
1-adamantyl-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]azanium
CID 9358471
N-(3-chlorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163743

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide (CID 9032168) is 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide is O=C(CNC12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide?
The InChIKey is JHLRVLFAMWMOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c19-15-2-1-3-16(7-15)21-17(22)11-20-18-8-12-4-13(9-18)6-14(5-12)10-18/h1-3,7,12-14,20H,4-6,8-11H2,(H,21,22).
What are the key properties of 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide?
2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide has a molecular weight of 318.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 9032168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).