2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide

C85H83Cl4F2N9O15 — CID 159696266

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide
SMILESCc1cc(OCC(=O)CC23CC(NC(=O)c4ccc5c(c4)OCC(=O)N5)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ncccn4)(C2)C3)ccc1Cl.Cc1cncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1nc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c(C)o1
InChIInChI=1S/C24H23ClN2O5.C21H20ClFN2O3.C20H20ClFN2O4.C20H20ClN3O3/c1-14-6-17(3-4-18(14)25)31-9-16(28)8-23-11-24(12-23,13-23)27-22(30)15-2-5-19-20(7-15)32-10-21(29)26-19;1-13-4-14(8-24-7-13)18(26)6-20-10-21(11-20,12-20)25-19(27)9-28-15-2-3-16(22)17(23)5-15;1-11-18(23-12(2)28-11)16(25)6-19-8-20(9-19,10-19)24-17(26)7-27-13-3-4-14(21)15(22)5-13;1-13-7-15(3-4-16(13)21)27-9-14(25)8-19-10-20(11-19,12-19)24-18(26)17-22-5-2-6-23-17/h2-7H,8-13H2,1H3,(H,26,29)(H,27,30);2-5,7-8H,6,9-12H2,1H3,(H,25,27);3-5H,6-10H2,1-2H3,(H,24,26);2-7H,8-12H2,1H3,(H,24,26)
InChIKeyMXAXPBHIIGNVQP-UHFFFAOYSA-N
MW1650.45 g/mol
LogP14.45
Rot. Bonds28

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide (PubChem CID 159696266) has the molecular formula C85H83Cl4F2N9O15 and a molecular weight of 1650.45 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide
PubChem CID159696266
Molecular FormulaC85H83Cl4F2N9O15
Molecular Weight1650.45 g/mol
Exact Mass1647.47
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide
SMILESCc1cc(OCC(=O)CC23CC(NC(=O)c4ccc5c(c4)OCC(=O)N5)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ncccn4)(C2)C3)ccc1Cl.Cc1cncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1nc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c(C)o1
InChIInChI=1S/C24H23ClN2O5.C21H20ClFN2O3.C20H20ClFN2O4.C20H20ClN3O3/c1-14-6-17(3-4-18(14)25)31-9-16(28)8-23-11-24(12-23,13-23)27-22(30)15-2-5-19-20(7-15)32-10-21(29)26-19;1-13-4-14(8-24-7-13)18(26)6-20-10-21(11-20,12-20)25-19(27)9-28-15-2-3-16(22)17(23)5-15;1-11-18(23-12(2)28-11)16(25)6-19-8-20(9-19,10-19)24-17(26)7-27-13-3-4-14(21)15(22)5-13;1-13-7-15(3-4-16(13)21)27-9-14(25)8-19-10-20(11-19,12-19)24-18(26)17-22-5-2-6-23-17/h2-7H,8-13H2,1H3,(H,26,29)(H,27,30);2-5,7-8H,6,9-12H2,1H3,(H,25,27);3-5H,6-10H2,1-2H3,(H,24,26);2-7H,8-12H2,1H3,(H,24,26)
InChIKeyMXAXPBHIIGNVQP-UHFFFAOYSA-N
XLogP14.45
TPSA324.63 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001650.45
LogP ≤ 514.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide (CID 159696266) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide is Cc1cc(OCC(=O)CC23CC(NC(=O)c4ccc5c(c4)OCC(=O)N5)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)CC23CC(NC(=O)c4ncccn4)(C2)C3)ccc1Cl.Cc1cncc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1nc(C(=O)CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c(C)o1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide?
The InChIKey is MXAXPBHIIGNVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5.C21H20ClFN2O3.C20H20ClFN2O4.C20H20ClN3O3/c1-14-6-17(3-4-18(14)25)31-9-16(28)8-23-11-24(12-23,13-23)27-22(30)15-2-5-19-20(7-15)32-10-21(29)26-19;1-13-4-14(8-24-7-13)18(26)6-20-10-21(11-20,12-20)25-19(27)9-28-15-2-3-16(22)17(23)5-15;1-11-18(23-12(2)28-11)16(25)6-19-8-20(9-19,10-19)24-17(26)7-27-13-3-4-14(21)15(22)5-13;1-13-7-15(3-4-16(13)21)27-9-14(25)8-19-10-20(11-19,12-19)24-18(26)17-22-5-2-6-23-17/h2-7H,8-13H2,1H3,(H,26,29)(H,27,30);2-5,7-8H,6,9-12H2,1H3,(H,25,27);3-5H,6-10H2,1-2H3,(H,24,26);2-7H,8-12H2,1H3,(H,24,26).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide has a molecular weight of 1650.45 g/mol, XLogP of 14.45, 28 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 159696266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).