N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide

C23H21Cl2FN2O3 — CID 154699064

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)C3(c4ccc(Cl)cc4)CC3)(C1)C2
InChIInChI=1S/C23H21Cl2FN2O3/c24-15-3-1-14(2-4-15)23(7-8-23)20(30)28-22-11-21(12-22,13-22)27-19(29)10-31-16-5-6-17(25)18(26)9-16/h1-6,9H,7-8,10-13H2,(H,27,29)(H,28,30)
InChIKeyCFFLXLWGFFUZGV-UHFFFAOYSA-N
MW463.34 g/mol
LogP4.15
Rot. Bonds7

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 154699064) has the molecular formula C23H21Cl2FN2O3 and a molecular weight of 463.34 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID154699064
Molecular FormulaC23H21Cl2FN2O3
Molecular Weight463.34 g/mol
Exact Mass462.09
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)C3(c4ccc(Cl)cc4)CC3)(C1)C2
InChIInChI=1S/C23H21Cl2FN2O3/c24-15-3-1-14(2-4-15)23(7-8-23)20(30)28-22-11-21(12-22,13-22)27-19(29)10-31-16-5-6-17(25)18(26)9-16/h1-6,9H,7-8,10-13H2,(H,27,29)(H,28,30)
InChIKeyCFFLXLWGFFUZGV-UHFFFAOYSA-N
XLogP4.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide (CID 154699064) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)C3(c4ccc(Cl)cc4)CC3)(C1)C2.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is CFFLXLWGFFUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O3/c24-15-3-1-14(2-4-15)23(7-8-23)20(30)28-22-11-21(12-22,13-22)27-19(29)10-31-16-5-6-17(25)18(26)9-16/h1-6,9H,7-8,10-13H2,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 463.34 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154699064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).