4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid

C150H127Cl3F12N12O19 — CID 160505885

IUPAC4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid
SMILESCc1ccc(Oc2ccc(-c3ccc(Cl)c(Cl)c3)cc2CCc2ccc(C(=O)NCCC(=O)O)cc2)cc1.N#Cc1cccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2CCc2ccc(C(=O)NCCC(=O)O)cc2)c1.O=C(Nc1nn[nH]n1)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cccc(Cl)c2)cc1.O=C(O)CCNC(=O)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-n2cccn2)cc1.O=C(O)CCNC(=O)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OC2CCCC2)cc1
InChIInChI=1S/C32H25F3N2O4.C31H27Cl2NO4.C30H30F3NO5.C29H21ClF3N5O2.C28H24F3N3O4/c33-32(34,35)41-28-13-10-23(11-14-28)25-12-15-29(26-3-1-2-22(18-26)20-36)27(19-25)9-6-21-4-7-24(8-5-21)31(40)37-17-16-30(38)39;1-20-2-12-26(13-3-20)38-29-15-11-23(24-10-14-27(32)28(33)19-24)18-25(29)9-6-21-4-7-22(8-5-21)31(37)34-17-16-30(35)36;31-30(32,33)39-26-14-11-21(12-15-26)23-13-16-27(38-25-3-1-2-4-25)24(19-23)10-7-20-5-8-22(9-6-20)29(37)34-18-17-28(35)36;30-24-3-1-2-22(17-24)26-15-12-21(19-10-13-25(14-11-19)40-29(31,32)33)16-23(26)9-6-18-4-7-20(8-5-18)27(39)34-28-35-37-38-36-28;29-28(30,31)38-24-11-8-20(9-12-24)22-10-13-25(34-17-1-15-33-34)23(18-22)7-4-19-2-5-21(6-3-19)27(37)32-16-14-26(35)36/h1-5,7-8,10-15,18-19H,6,9,16-17H2,(H,37,40)(H,38,39);2-5,7-8,10-15,18-19H,6,9,16-17H2,1H3,(H,34,37)(H,35,36);5-6,8-9,11-16,19,25H,1-4,7,10,17-18H2,(H,34,37)(H,35,36);1-5,7-8,10-17H,6,9H2,(H2,34,35,36,37,38,39);1-3,5-6,8-13,15,17-18H,4,7,14,16H2,(H,32,37)(H,35,36)
InChIKeyQSJXSBBGUMUPTQ-UHFFFAOYSA-N
MW2736.07 g/mol
LogP33.65
Rot. Bonds49

About 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid

4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid (PubChem CID 160505885) has the molecular formula C150H127Cl3F12N12O19 and a molecular weight of 2736.07 g/mol. Its IUPAC name is 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid
PubChem CID160505885
Molecular FormulaC150H127Cl3F12N12O19
Molecular Weight2736.07 g/mol
Exact Mass2732.82
IUPAC Name4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid
SMILESCc1ccc(Oc2ccc(-c3ccc(Cl)c(Cl)c3)cc2CCc2ccc(C(=O)NCCC(=O)O)cc2)cc1.N#Cc1cccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2CCc2ccc(C(=O)NCCC(=O)O)cc2)c1.O=C(Nc1nn[nH]n1)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cccc(Cl)c2)cc1.O=C(O)CCNC(=O)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-n2cccn2)cc1.O=C(O)CCNC(=O)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OC2CCCC2)cc1
InChIInChI=1S/C32H25F3N2O4.C31H27Cl2NO4.C30H30F3NO5.C29H21ClF3N5O2.C28H24F3N3O4/c33-32(34,35)41-28-13-10-23(11-14-28)25-12-15-29(26-3-1-2-22(18-26)20-36)27(19-25)9-6-21-4-7-24(8-5-21)31(40)37-17-16-30(38)39;1-20-2-12-26(13-3-20)38-29-15-11-23(24-10-14-27(32)28(33)19-24)18-25(29)9-6-21-4-7-22(8-5-21)31(37)34-17-16-30(35)36;31-30(32,33)39-26-14-11-21(12-15-26)23-13-16-27(38-25-3-1-2-4-25)24(19-23)10-7-20-5-8-22(9-6-20)29(37)34-18-17-28(35)36;30-24-3-1-2-22(17-24)26-15-12-21(19-10-13-25(14-11-19)40-29(31,32)33)16-23(26)9-6-18-4-7-20(8-5-18)27(39)34-28-35-37-38-36-28;29-28(30,31)38-24-11-8-20(9-12-24)22-10-13-25(34-17-1-15-33-34)23(18-22)7-4-19-2-5-21(6-3-19)27(37)32-16-14-26(35)36/h1-5,7-8,10-15,18-19H,6,9,16-17H2,(H,37,40)(H,38,39);2-5,7-8,10-15,18-19H,6,9,16-17H2,1H3,(H,34,37)(H,35,36);5-6,8-9,11-16,19,25H,1-4,7,10,17-18H2,(H,34,37)(H,35,36);1-5,7-8,10-17H,6,9H2,(H2,34,35,36,37,38,39);1-3,5-6,8-13,15,17-18H,4,7,14,16H2,(H,32,37)(H,35,36)
InChIKeyQSJXSBBGUMUPTQ-UHFFFAOYSA-N
XLogP33.65
TPSA446.15 Ų
H-Bond Donors10
H-Bond Acceptors21
Rotatable Bonds49
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002736.07
LogP ≤ 533.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1021

Analyze 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid?
The IUPAC name of 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid (CID 160505885) is 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid is Cc1ccc(Oc2ccc(-c3ccc(Cl)c(Cl)c3)cc2CCc2ccc(C(=O)NCCC(=O)O)cc2)cc1.N#Cc1cccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2CCc2ccc(C(=O)NCCC(=O)O)cc2)c1.O=C(Nc1nn[nH]n1)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-c2cccc(Cl)c2)cc1.O=C(O)CCNC(=O)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2-n2cccn2)cc1.O=C(O)CCNC(=O)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OC2CCCC2)cc1.
What is the InChIKey of 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid?
The InChIKey is QSJXSBBGUMUPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N2O4.C31H27Cl2NO4.C30H30F3NO5.C29H21ClF3N5O2.C28H24F3N3O4/c33-32(34,35)41-28-13-10-23(11-14-28)25-12-15-29(26-3-1-2-22(18-26)20-36)27(19-25)9-6-21-4-7-24(8-5-21)31(40)37-17-16-30(38)39;1-20-2-12-26(13-3-20)38-29-15-11-23(24-10-14-27(32)28(33)19-24)18-25(29)9-6-21-4-7-22(8-5-21)31(37)34-17-16-30(35)36;31-30(32,33)39-26-14-11-21(12-15-26)23-13-16-27(38-25-3-1-2-4-25)24(19-23)10-7-20-5-8-22(9-6-20)29(37)34-18-17-28(35)36;30-24-3-1-2-22(17-24)26-15-12-21(19-10-13-25(14-11-19)40-29(31,32)33)16-23(26)9-6-18-4-7-20(8-5-18)27(39)34-28-35-37-38-36-28;29-28(30,31)38-24-11-8-20(9-12-24)22-10-13-25(34-17-1-15-33-34)23(18-22)7-4-19-2-5-21(6-3-19)27(37)32-16-14-26(35)36/h1-5,7-8,10-15,18-19H,6,9,16-17H2,(H,37,40)(H,38,39);2-5,7-8,10-15,18-19H,6,9,16-17H2,1H3,(H,34,37)(H,35,36);5-6,8-9,11-16,19,25H,1-4,7,10,17-18H2,(H,34,37)(H,35,36);1-5,7-8,10-17H,6,9H2,(H2,34,35,36,37,38,39);1-3,5-6,8-13,15,17-18H,4,7,14,16H2,(H,32,37)(H,35,36).
What are the key properties of 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid?
4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid has a molecular weight of 2736.07 g/mol, XLogP of 33.65, 49 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-chlorophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-N-(2H-tetrazol-5-yl)benzamide;3-[[4-[2-[2-(3-cyanophenyl)-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-cyclopentyloxy-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[5-(3,4-dichlorophenyl)-2-(4-methylphenoxy)phenyl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[2-[2-pyrazol-1-yl-5-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 160505885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).