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

C20H17F3N2O3 — CID 71693954

IUPAC3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)14-6-4-12(5-7-14)15-9-16(26)18(27)17(15)25-19(28)13-3-1-2-11(8-13)10-24/h1-8,15-18,26-27H,9H2,(H,25,28)/t15-,16-,17-,18-/m1/s1
InChIKeyCBJLYTSHOMUGTL-BRSBDYLESA-N
MW390.36 g/mol
LogP2.58
Rot. Bonds3

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

3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide (PubChem CID 71693954) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide
PubChem CID71693954
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide
SMILESN#Cc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H17F3N2O3/c21-20(22,23)14-6-4-12(5-7-14)15-9-16(26)18(27)17(15)25-19(28)13-3-1-2-11(8-13)10-24/h1-8,15-18,26-27H,9H2,(H,25,28)/t15-,16-,17-,18-/m1/s1
InChIKeyCBJLYTSHOMUGTL-BRSBDYLESA-N
XLogP2.58
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide?
The IUPAC name of 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide (CID 71693954) is 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide?
The canonical SMILES for 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide is N#Cc1cccc(C(=O)N[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide?
The InChIKey is CBJLYTSHOMUGTL-BRSBDYLESA-N. The full InChI is InChI=1S/C20H17F3N2O3/c21-20(22,23)14-6-4-12(5-7-14)15-9-16(26)18(27)17(15)25-19(28)13-3-1-2-11(8-13)10-24/h1-8,15-18,26-27H,9H2,(H,25,28)/t15-,16-,17-,18-/m1/s1.
What are the key properties of 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide?
3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide has a molecular weight of 390.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-[4-(trifluoromethyl)phenyl]cyclopentyl]benzamide is sourced from PubChem (CID 71693954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).