2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H23F3N2O2 — CID 146602991

IUPAC2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC12CC3CC(CC(O)(C3)C1)C2)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)14-2-1-3-15(5-14)24-16(25)10-23-17-6-12-4-13(7-17)9-18(26,8-12)11-17/h1-3,5,12-13,23,26H,4,6-11H2,(H,24,25)
InChIKeyIITAPHMGHLLPCH-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.32
Rot. Bonds4

About 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 146602991) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID146602991
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNC12CC3CC(CC(O)(C3)C1)C2)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)14-2-1-3-15(5-14)24-16(25)10-23-17-6-12-4-13(7-17)9-18(26,8-12)11-17/h1-3,5,12-13,23,26H,4,6-11H2,(H,24,25)
InChIKeyIITAPHMGHLLPCH-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 146602991) is 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CNC12CC3CC(CC(O)(C3)C1)C2)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IITAPHMGHLLPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c20-19(21,22)14-2-1-3-15(5-14)24-16(25)10-23-17-6-12-4-13(7-17)9-18(26,8-12)11-17/h1-3,5,12-13,23,26H,4,6-11H2,(H,24,25).
What are the key properties of 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-1-adamantyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 146602991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).