(2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C23H21ClF3N3O4 — CID 155254298

IUPAC(2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC12CC(C(=O)NCc3ccc(C(F)(F)F)cn3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C23H21ClF3N3O4/c24-13-2-4-17-15(5-13)16(31)6-18(34-17)19(32)30-22-9-21(10-22,11-22)20(33)29-8-14-3-1-12(7-28-14)23(25,26)27/h1-5,7,16,18,31H,6,8-11H2,(H,29,33)(H,30,32)/t16-,18-,21?,22?/m1/s1
InChIKeyUEFITCLNMWXZDD-DLCLTQFKSA-N
MW495.89 g/mol
LogP3.29
Rot. Bonds5

About (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 155254298) has the molecular formula C23H21ClF3N3O4 and a molecular weight of 495.89 g/mol. Its IUPAC name is (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID155254298
Molecular FormulaC23H21ClF3N3O4
Molecular Weight495.89 g/mol
Exact Mass495.12
IUPAC Name(2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NC12CC(C(=O)NCc3ccc(C(F)(F)F)cn3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C23H21ClF3N3O4/c24-13-2-4-17-15(5-13)16(31)6-18(34-17)19(32)30-22-9-21(10-22,11-22)20(33)29-8-14-3-1-12(7-28-14)23(25,26)27/h1-5,7,16,18,31H,6,8-11H2,(H,29,33)(H,30,32)/t16-,18-,21?,22?/m1/s1
InChIKeyUEFITCLNMWXZDD-DLCLTQFKSA-N
XLogP3.29
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.89
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Related Compounds

2-(4-Chloro-3-fluorophenoxy)-2-[3-[[2-[[2-(difluoromethyl)-4-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 132090769
2-(4-Chloro-3-fluorophenoxy)-2-[3-[[2-[[6-(difluoromethyl)-3-pyridinyl]oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 132090807
2-(4-Chloro-3-fluorophenoxy)-2-[3-[[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 132090870
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(2-pyridin-2-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 132091003
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 132091009
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 132091013
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[5-(difluoromethoxy)pyridin-2-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 132091017
3-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-N-(2-hydroxyethyl)pyridine-2,4-dicarboxamide
CID 132091862
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 132103112
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[6-(trifluoromethyl)pyridin-3-yl]acetamide
CID 132103236
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 132110355
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-pyridin-3-ylpropyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 132110446

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 155254298) is (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC12CC(C(=O)NCc3ccc(C(F)(F)F)cn3)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is UEFITCLNMWXZDD-DLCLTQFKSA-N. The full InChI is InChI=1S/C23H21ClF3N3O4/c24-13-2-4-17-15(5-13)16(31)6-18(34-17)19(32)30-22-9-21(10-22,11-22)20(33)29-8-14-3-1-12(7-28-14)23(25,26)27/h1-5,7,16,18,31H,6,8-11H2,(H,29,33)(H,30,32)/t16-,18-,21?,22?/m1/s1.
What are the key properties of (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
(2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 495.89 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-chloro-4-hydroxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 155254298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).