(2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide

C24H23Cl2FN2O5 — CID 155256828

About (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide

(2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide (PubChem CID 155256828) has the molecular formula C24H23Cl2FN2O5 and a molecular weight of 509.36 g/mol. Its IUPAC name is (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

• Compound Name: (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide
• PubChem CID: 155256828
• Molecular Formula: C24H23Cl2FN2O5
• Molecular Weight: 509.36 g/mol
• Exact Mass: 508.10
• IUPAC Name: (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide
• SMILES: C[C@]1(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)C[C@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C24H23Cl2FN2O5/c1-22(8-18(30)15-6-13(25)2-5-19(15)34-22)21(32)29-24-10-23(11-24,12-24)28-20(31)9-33-14-3-4-16(26)17(27)7-14/h2-7,18,30H,8-12H2,1H3,(H,28,31)(H,29,32)/t18-,22+,23?,24?/m0/s1
• InChIKey: BLAKLHMRFQIFTP-PAOCCPKESA-N
• XLogP: 3.69
• TPSA: 96.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.36
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide?

The IUPAC name of (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide (CID 155256828) is (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide.

What is the SMILES notation for (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide?

The canonical SMILES for (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide is C[C@]1(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)C[C@H](O)c2cc(Cl)ccc2O1.

What is the InChIKey of (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide?

The InChIKey is BLAKLHMRFQIFTP-PAOCCPKESA-N. The full InChI is InChI=1S/C24H23Cl2FN2O5/c1-22(8-18(30)15-6-13(25)2-5-19(15)34-22)21(32)29-24-10-23(11-24,12-24)28-20(31)9-33-14-3-4-16(26)17(27)7-14/h2-7,18,30H,8-12H2,1H3,(H,28,31)(H,29,32)/t18-,22+,23?,24?/m0/s1.

What are the key properties of (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide?

(2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide has a molecular weight of 509.36 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-2-methyl-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 155256828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).