N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide

C17H16F3N3O4 — CID 71693967

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O4/c18-17(19,20)27-11-3-1-9(2-4-11)16(26)23-14-12(5-13(24)15(14)25)10-6-21-8-22-7-10/h1-4,6-8,12-15,24-25H,5H2,(H,23,26)/t12-,13-,14-,15-/m1/s1
InChIKeyUEMFGCGPKOKVDG-KBUPBQIOSA-N
MW383.33 g/mol
LogP1.38
Rot. Bonds4

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide (PubChem CID 71693967) has the molecular formula C17H16F3N3O4 and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide
PubChem CID71693967
Molecular FormulaC17H16F3N3O4
Molecular Weight383.33 g/mol
Exact Mass383.11
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide
SMILESO=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O4/c18-17(19,20)27-11-3-1-9(2-4-11)16(26)23-14-12(5-13(24)15(14)25)10-6-21-8-22-7-10/h1-4,6-8,12-15,24-25H,5H2,(H,23,26)/t12-,13-,14-,15-/m1/s1
InChIKeyUEMFGCGPKOKVDG-KBUPBQIOSA-N
XLogP1.38
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide (CID 71693967) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide is O=C(N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1cncnc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is UEMFGCGPKOKVDG-KBUPBQIOSA-N. The full InChI is InChI=1S/C17H16F3N3O4/c18-17(19,20)27-11-3-1-9(2-4-11)16(26)23-14-12(5-13(24)15(14)25)10-6-21-8-22-7-10/h1-4,6-8,12-15,24-25H,5H2,(H,23,26)/t12-,13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 383.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-pyrimidin-5-ylcyclopentyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71693967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).