N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide

C20H20F3NO4 — CID 71693937

IUPACN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H20F3NO4/c1-28-14-8-4-12(5-9-14)19(27)24-17-15(10-16(25)18(17)26)11-2-6-13(7-3-11)20(21,22)23/h2-9,15-18,25-26H,10H2,1H3,(H,24,27)/t15-,16-,17-,18-/m1/s1
InChIKeyVYAYILQKLCEELC-BRSBDYLESA-N
MW395.38 g/mol
LogP2.72
Rot. Bonds4

About N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide

N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide (PubChem CID 71693937) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide
PubChem CID71693937
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC NameN-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H20F3NO4/c1-28-14-8-4-12(5-9-14)19(27)24-17-15(10-16(25)18(17)26)11-2-6-13(7-3-11)20(21,22)23/h2-9,15-18,25-26H,10H2,1H3,(H,24,27)/t15-,16-,17-,18-/m1/s1
InChIKeyVYAYILQKLCEELC-BRSBDYLESA-N
XLogP2.72
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide?
The IUPAC name of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide (CID 71693937) is N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide?
The canonical SMILES for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide?
The InChIKey is VYAYILQKLCEELC-BRSBDYLESA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-28-14-8-4-12(5-9-14)19(27)24-17-15(10-16(25)18(17)26)11-2-6-13(7-3-11)20(21,22)23/h2-9,15-18,25-26H,10H2,1H3,(H,24,27)/t15-,16-,17-,18-/m1/s1.
What are the key properties of N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide?
N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide has a molecular weight of 395.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]-4-methoxybenzamide is sourced from PubChem (CID 71693937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).