dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate

C97H82Cl7Cs2F12N15O13 — CID 157497867

IUPACdicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate
SMILESCOc1ccc(CN)cc1.COc1ccc(CNc2nccc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)n2)cc1.Clc1ccnc(Cl)n1.Nc1nccc(Oc2cccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.O=C(CCc1cccc(O)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1cccc(Oc2ccnc(Cl)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C28H24ClF3N4O3.C20H14Cl2F3N3O2.C20H16ClF3N4O2.C16H13ClF3NO2.C8H11NO.C4H2Cl2N2.CH2O3.2Cs.H/c1-38-21-9-5-19(6-10-21)17-34-27-33-14-13-26(36-27)39-22-4-2-3-18(15-22)7-12-25(37)35-20-8-11-24(29)23(16-20)28(30,31)32;21-16-6-5-13(11-15(16)20(23,24)25)27-17(29)7-4-12-2-1-3-14(10-12)30-18-8-9-26-19(22)28-18;21-16-6-5-13(11-15(16)20(22,23)24)27-17(29)7-4-12-2-1-3-14(10-12)30-18-8-9-26-19(25)28-18;17-14-6-5-11(9-13(14)16(18,19)20)21-15(23)7-4-10-2-1-3-12(22)8-10;1-10-8-4-2-7(6-9)3-5-8;5-3-1-2-7-4(6)8-3;2-1-4-3;;;/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,35,37)(H,33,34,36);1-3,5-6,8-11H,4,7H2,(H,27,29);1-3,5-6,8-11H,4,7H2,(H,27,29)(H2,25,26,28);1-3,5-6,8-9,22H,4,7H2,(H,21,23);2-5H,6,9H2,1H3;1-2H;1,3H;;;/q;;;;;;;2*+1;-1/p-1
InChIKeyFCKBDYWPLBDESD-UHFFFAOYSA-M
MW2407.77 g/mol
LogP18.52
Rot. Bonds29

About dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate

dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate (PubChem CID 157497867) has the molecular formula C97H82Cl7Cs2F12N15O13 and a molecular weight of 2407.77 g/mol. Its IUPAC name is dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate.

Molecular Properties

Compound Namedicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate
PubChem CID157497867
Molecular FormulaC97H82Cl7Cs2F12N15O13
Molecular Weight2407.77 g/mol
Exact Mass2403.20
IUPAC Namedicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate
SMILESCOc1ccc(CN)cc1.COc1ccc(CNc2nccc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)n2)cc1.Clc1ccnc(Cl)n1.Nc1nccc(Oc2cccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.O=C(CCc1cccc(O)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1cccc(Oc2ccnc(Cl)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C28H24ClF3N4O3.C20H14Cl2F3N3O2.C20H16ClF3N4O2.C16H13ClF3NO2.C8H11NO.C4H2Cl2N2.CH2O3.2Cs.H/c1-38-21-9-5-19(6-10-21)17-34-27-33-14-13-26(36-27)39-22-4-2-3-18(15-22)7-12-25(37)35-20-8-11-24(29)23(16-20)28(30,31)32;21-16-6-5-13(11-15(16)20(23,24)25)27-17(29)7-4-12-2-1-3-14(10-12)30-18-8-9-26-19(22)28-18;21-16-6-5-13(11-15(16)20(22,23)24)27-17(29)7-4-12-2-1-3-14(10-12)30-18-8-9-26-19(25)28-18;17-14-6-5-11(9-13(14)16(18,19)20)21-15(23)7-4-10-2-1-3-12(22)8-10;1-10-8-4-2-7(6-9)3-5-8;5-3-1-2-7-4(6)8-3;2-1-4-3;;;/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,35,37)(H,33,34,36);1-3,5-6,8-11H,4,7H2,(H,27,29);1-3,5-6,8-11H,4,7H2,(H,27,29)(H2,25,26,28);1-3,5-6,8-9,22H,4,7H2,(H,21,23);2-5H,6,9H2,1H3;1-2H;1,3H;;;/q;;;;;;;2*+1;-1/p-1
InChIKeyFCKBDYWPLBDESD-UHFFFAOYSA-M
XLogP18.52
TPSA399.33 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002407.77
LogP ≤ 518.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-({2-[(4-methoxybenzyl)amino]pyrimidin-4-yl}oxy)phenyl]propanamide
CID 58674457
Tert-butyl-[1-[4-[3-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]pyrimidin-2-yl]piperidin-3-yl]carbamic acid
CID 68684911
dipotassium;3-[3-[(2-amino-4-pyridinyl)oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-[[2-[(2-chloroacetyl)amino]-4-pyridinyl]oxy]phenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;2-chloroacetyl chloride;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4-pyridinyl]oxy]phenyl]propanamide;1-ethylpiperazine;hydride;oxido formate
CID 157811760
sodium;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]acetic acid;2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]-N-[2-(trifluoromethyl)phenyl]acetamide;N-(6-chloropyrimidin-4-yl)acetamide;methane;methanol;methyl 2-[4-(6-acetamidopyrimidin-4-yl)oxyphenyl]acetate;methyl 2-(4-hydroxyphenyl)acetate;2-(trifluoromethyl)aniline;hydroxide;hydrate
CID 159642071
dicesium;N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide;tert-butyl N-[[3-amino-5-(trifluoromethyl)phenyl]methyl]carbamate;tert-butyl N-[[3-[[7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]methyl]carbamate;5-chloro-1H-1,8-naphthyridin-2-one;hydride;7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;oxido formate;7-[(7-oxo-8H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 159789661

Frequently Asked Questions

What is the IUPAC name of dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate?
The IUPAC name of dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate (CID 157497867) is dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate.
What is the SMILES notation for dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate?
The canonical SMILES for dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate is COc1ccc(CN)cc1.COc1ccc(CNc2nccc(Oc3cccc(CCC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c3)n2)cc1.Clc1ccnc(Cl)n1.Nc1nccc(Oc2cccc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1.O=C(CCc1cccc(O)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=C(CCc1cccc(Oc2ccnc(Cl)n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.O=CO[O-].[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate?
The InChIKey is FCKBDYWPLBDESD-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H24ClF3N4O3.C20H14Cl2F3N3O2.C20H16ClF3N4O2.C16H13ClF3NO2.C8H11NO.C4H2Cl2N2.CH2O3.2Cs.H/c1-38-21-9-5-19(6-10-21)17-34-27-33-14-13-26(36-27)39-22-4-2-3-18(15-22)7-12-25(37)35-20-8-11-24(29)23(16-20)28(30,31)32;21-16-6-5-13(11-15(16)20(23,24)25)27-17(29)7-4-12-2-1-3-14(10-12)30-18-8-9-26-19(22)28-18;21-16-6-5-13(11-15(16)20(22,23)24)27-17(29)7-4-12-2-1-3-14(10-12)30-18-8-9-26-19(25)28-18;17-14-6-5-11(9-13(14)16(18,19)20)21-15(23)7-4-10-2-1-3-12(22)8-10;1-10-8-4-2-7(6-9)3-5-8;5-3-1-2-7-4(6)8-3;2-1-4-3;;;/h2-6,8-11,13-16H,7,12,17H2,1H3,(H,35,37)(H,33,34,36);1-3,5-6,8-11H,4,7H2,(H,27,29);1-3,5-6,8-11H,4,7H2,(H,27,29)(H2,25,26,28);1-3,5-6,8-9,22H,4,7H2,(H,21,23);2-5H,6,9H2,1H3;1-2H;1,3H;;;/q;;;;;;;2*+1;-1/p-1.
What are the key properties of dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate?
dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate has a molecular weight of 2407.77 g/mol, XLogP of 18.52, 29 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;3-[3-(2-aminopyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;3-[3-(2-chloropyrimidin-4-yl)oxyphenyl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-hydroxyphenyl)propanamide;N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]oxyphenyl]propanamide;2,4-dichloropyrimidine;hydride;(4-methoxyphenyl)methanamine;oxido formate is sourced from PubChem (CID 157497867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).