N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide

C104H102Cl5F7N12O17S — CID 157264316

IUPACN-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1F.Cc1ccc(F)c(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1csc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
InChIInChI=1S/C22H21ClF2N2O4.C22H21ClF2N2O3.C22H22ClFN2O3.C19H19ClFN3O4.C19H19ClFN3O3S/c1-30-18-5-2-13(6-17(18)25)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-31-14-3-4-15(23)16(24)7-14;1-13-2-5-17(24)14(6-13)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-30-15-3-4-16(23)18(25)7-15;1-26(10-15-5-3-2-4-6-15)20(28)21-12-22(13-21,14-21)25-19(27)11-29-16-7-8-17(23)18(24)9-16;1-11-5-22-16(28-11)6-23-17(26)18-8-19(9-18,10-18)24-15(25)7-27-12-2-3-13(20)14(21)4-12;1-11-7-28-16(23-11)5-22-17(26)18-8-19(9-18,10-18)24-15(25)6-27-12-2-3-13(20)14(21)4-12/h2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-9H,10-14H2,1H3,(H,25,27);2-5H,6-10H2,1H3,(H,23,26)(H,24,25);2-4,7H,5-6,8-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyAXVBRXIJODPREQ-UHFFFAOYSA-N
MW2134.34 g/mol
LogP16.06
Rot. Bonds36

About N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide

N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 157264316) has the molecular formula C104H102Cl5F7N12O17S and a molecular weight of 2134.34 g/mol. Its IUPAC name is N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID157264316
Molecular FormulaC104H102Cl5F7N12O17S
Molecular Weight2134.34 g/mol
Exact Mass2130.55
IUPAC NameN-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1F.Cc1ccc(F)c(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1csc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1
InChIInChI=1S/C22H21ClF2N2O4.C22H21ClF2N2O3.C22H22ClFN2O3.C19H19ClFN3O4.C19H19ClFN3O3S/c1-30-18-5-2-13(6-17(18)25)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-31-14-3-4-15(23)16(24)7-14;1-13-2-5-17(24)14(6-13)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-30-15-3-4-16(23)18(25)7-15;1-26(10-15-5-3-2-4-6-15)20(28)21-12-22(13-21,14-21)25-19(27)11-29-16-7-8-17(23)18(24)9-16;1-11-5-22-16(28-11)6-23-17(26)18-8-19(9-18,10-18)24-15(25)7-27-12-2-3-13(20)14(21)4-12;1-11-7-28-16(23-11)5-22-17(26)18-8-19(9-18,10-18)24-15(25)6-27-12-2-3-13(20)14(21)4-12/h2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-9H,10-14H2,1H3,(H,25,27);2-5H,6-10H2,1H3,(H,23,26)(H,24,25);2-4,7H,5-6,8-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyAXVBRXIJODPREQ-UHFFFAOYSA-N
XLogP16.06
TPSA376.51 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002134.34
LogP ≤ 516.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide (CID 157264316) is N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide is CN(Cc1ccccc1)C(=O)C12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.COc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1F.Cc1ccc(F)c(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)c1.Cc1cnc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)o1.Cc1csc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.
What is the InChIKey of N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is AXVBRXIJODPREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF2N2O4.C22H21ClF2N2O3.C22H22ClFN2O3.C19H19ClFN3O4.C19H19ClFN3O3S/c1-30-18-5-2-13(6-17(18)25)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-31-14-3-4-15(23)16(24)7-14;1-13-2-5-17(24)14(6-13)8-26-20(29)21-10-22(11-21,12-21)27-19(28)9-30-15-3-4-16(23)18(25)7-15;1-26(10-15-5-3-2-4-6-15)20(28)21-12-22(13-21,14-21)25-19(27)11-29-16-7-8-17(23)18(24)9-16;1-11-5-22-16(28-11)6-23-17(26)18-8-19(9-18,10-18)24-15(25)7-27-12-2-3-13(20)14(21)4-12;1-11-7-28-16(23-11)5-22-17(26)18-8-19(9-18,10-18)24-15(25)6-27-12-2-3-13(20)14(21)4-12/h2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);2-9H,10-14H2,1H3,(H,25,27);2-5H,6-10H2,1H3,(H,23,26)(H,24,25);2-4,7H,5-6,8-10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide?
N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 2134.34 g/mol, XLogP of 16.06, 36 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2-fluoro-5-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 157264316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).