3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide

C89H89Cl6F4N9O14 — CID 160852400

IUPAC3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCCOc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4cccnc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccc(Cl)c(Cl)c4)(C2)C3)ccc1Cl.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3OC(F)F)(C1)C2
InChIInChI=1S/C23H24ClFN2O4.C22H21Cl3N2O3.C22H20ClF3N2O4.C22H24ClN3O3/c1-2-30-16-5-3-15(4-6-16)10-26-21(29)22-12-23(13-22,14-22)27-20(28)11-31-17-7-8-18(24)19(25)9-17;1-13-6-15(3-5-16(13)23)30-9-19(28)27-22-10-21(11-22,12-22)20(29)26-8-14-2-4-17(24)18(25)7-14;23-15-6-5-14(7-16(15)24)31-9-18(29)28-22-10-21(11-22,12-22)19(30)27-8-13-3-1-2-4-17(13)32-20(25)26;1-15-9-17(4-5-18(15)23)29-11-19(27)26-22-12-21(13-22,14-22)20(28)25-8-6-16-3-2-7-24-10-16/h3-9H,2,10-14H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);1-7,20H,8-12H2,(H,27,30)(H,28,29);2-5,7,9-10H,6,8,11-14H2,1H3,(H,25,28)(H,26,27)
InChIKeySJKSLAKQXFIFPM-UHFFFAOYSA-N
MW1797.45 g/mol
LogP14.94
Rot. Bonds33

About 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide

3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 160852400) has the molecular formula C89H89Cl6F4N9O14 and a molecular weight of 1797.45 g/mol. Its IUPAC name is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID160852400
Molecular FormulaC89H89Cl6F4N9O14
Molecular Weight1797.45 g/mol
Exact Mass1793.46
IUPAC Name3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide
SMILESCCOc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4cccnc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccc(Cl)c(Cl)c4)(C2)C3)ccc1Cl.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3OC(F)F)(C1)C2
InChIInChI=1S/C23H24ClFN2O4.C22H21Cl3N2O3.C22H20ClF3N2O4.C22H24ClN3O3/c1-2-30-16-5-3-15(4-6-16)10-26-21(29)22-12-23(13-22,14-22)27-20(28)11-31-17-7-8-18(24)19(25)9-17;1-13-6-15(3-5-16(13)23)30-9-19(28)27-22-10-21(11-22,12-22)20(29)26-8-14-2-4-17(24)18(25)7-14;23-15-6-5-14(7-16(15)24)31-9-18(29)28-22-10-21(11-22,12-22)19(30)27-8-13-3-1-2-4-17(13)32-20(25)26;1-15-9-17(4-5-18(15)23)29-11-19(27)26-22-12-21(13-22,14-22)20(28)25-8-6-16-3-2-7-24-10-16/h3-9H,2,10-14H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);1-7,20H,8-12H2,(H,27,30)(H,28,29);2-5,7,9-10H,6,8,11-14H2,1H3,(H,25,28)(H,26,27)
InChIKeySJKSLAKQXFIFPM-UHFFFAOYSA-N
XLogP14.94
TPSA301.07 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001797.45
LogP ≤ 514.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[4-(1-fluoroethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(5-methyl-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;1-[3-[3-(4-chloro-3-methylphenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 158988622
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1,1-difluoroethyl)-5-fluorophenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-4-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 159517028
N-benzyl-2-[4-chloro-3-(trifluoromethyl)phenoxy]butanamide;N-benzyl-2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-methylbutanamide;2-[4-chloro-3-(trifluoromethyl)phenoxy]-N-(pyridin-3-ylmethyl)butanamide
CID 158539782
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[3-(1-fluoroethoxy)phenyl]methyl]bicyclo[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-(1-phenylethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 161683512

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide (CID 160852400) is 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide is CCOc1ccc(CNC(=O)C23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cc1.Cc1cc(OCC(=O)NC23CC(C(=O)NCCc4cccnc4)(C2)C3)ccc1Cl.Cc1cc(OCC(=O)NC23CC(C(=O)NCc4ccc(Cl)c(Cl)c4)(C2)C3)ccc1Cl.O=C(COc1ccc(Cl)c(F)c1)NC12CC(C(=O)NCc3ccccc3OC(F)F)(C1)C2.
What is the InChIKey of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is SJKSLAKQXFIFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O4.C22H21Cl3N2O3.C22H20ClF3N2O4.C22H24ClN3O3/c1-2-30-16-5-3-15(4-6-16)10-26-21(29)22-12-23(13-22,14-22)27-20(28)11-31-17-7-8-18(24)19(25)9-17;1-13-6-15(3-5-16(13)23)30-9-19(28)27-22-10-21(11-22,12-22)20(29)26-8-14-2-4-17(24)18(25)7-14;23-15-6-5-14(7-16(15)24)31-9-18(29)28-22-10-21(11-22,12-22)19(30)27-8-13-3-1-2-4-17(13)32-20(25)26;1-15-9-17(4-5-18(15)23)29-11-19(27)26-22-12-21(13-22,14-22)20(28)25-8-6-16-3-2-7-24-10-16/h3-9H,2,10-14H2,1H3,(H,26,29)(H,27,28);2-7H,8-12H2,1H3,(H,26,29)(H,27,28);1-7,20H,8-12H2,(H,27,30)(H,28,29);2-5,7,9-10H,6,8,11-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide?
3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 1797.45 g/mol, XLogP of 14.94, 33 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[[2-(difluoromethoxy)phenyl]methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(4-ethoxyphenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-[(3,4-dichlorophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide;3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-N-(2-pyridin-3-ylethyl)bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 160852400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).