2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide

C19H22F3NO2 — CID 135389653

IUPAC2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide
SMILESO=C(N[C@@H](c1ccccc1)[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3)C(F)(F)F
InChIInChI=1S/C19H22F3NO2/c20-19(21,22)17(24)23-16(13-4-2-1-3-5-13)15-14-7-11-6-12(8-14)10-18(15,25)9-11/h1-5,11-12,14-16,25H,6-10H2,(H,23,24)/t11-,12+,14?,15-,16+,18?/m1/s1
InChIKeyLRHXDPQBBSZSLK-KPUBFFBMSA-N
MW353.38 g/mol
LogP3.59
Rot. Bonds3

About 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide

2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide (PubChem CID 135389653) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide
PubChem CID135389653
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide
SMILESO=C(N[C@@H](c1ccccc1)[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3)C(F)(F)F
InChIInChI=1S/C19H22F3NO2/c20-19(21,22)17(24)23-16(13-4-2-1-3-5-13)15-14-7-11-6-12(8-14)10-18(15,25)9-11/h1-5,11-12,14-16,25H,6-10H2,(H,23,24)/t11-,12+,14?,15-,16+,18?/m1/s1
InChIKeyLRHXDPQBBSZSLK-KPUBFFBMSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide (CID 135389653) is 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide is O=C(N[C@@H](c1ccccc1)[C@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide?
The InChIKey is LRHXDPQBBSZSLK-KPUBFFBMSA-N. The full InChI is InChI=1S/C19H22F3NO2/c20-19(21,22)17(24)23-16(13-4-2-1-3-5-13)15-14-7-11-6-12(8-14)10-18(15,25)9-11/h1-5,11-12,14-16,25H,6-10H2,(H,23,24)/t11-,12+,14?,15-,16+,18?/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide?
2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(R)-[(2R,5S,7R)-1-hydroxy-2-adamantyl]-phenylmethyl]acetamide is sourced from PubChem (CID 135389653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).