4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

C109H72Cl2F22N18O14 — CID 159249261

IUPAC4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)cn1.COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.Cn1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cncnc2)c1
InChIInChI=1S/C19H13ClF3N3O3.C19H13F4N3O3.C18H11ClF3N3O2.C18H13F4N3O2.C18H11F4N3O2.C17H11F4N3O2/c2*1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;1-25-10-12(9-23-25)15-8-11(2-7-16(15)19)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;18-14-6-1-10(9-13(14)15-7-8-22-24-15)16(25)23-11-2-4-12(5-3-11)26-17(19,20)21/h2*2-10H,1H3,(H,26,27);1-10H,(H,25,26);2-10H,1H3,(H,24,26);1-10H,(H,25,26);1-9H,(H,22,24)(H,23,25)
InChIKeyKVBRQKGRUNEZQL-UHFFFAOYSA-N
MW2346.75 g/mol
LogP27.52
Rot. Bonds26

About 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide

4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 159249261) has the molecular formula C109H72Cl2F22N18O14 and a molecular weight of 2346.75 g/mol. Its IUPAC name is 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID159249261
Molecular FormulaC109H72Cl2F22N18O14
Molecular Weight2346.75 g/mol
Exact Mass2344.45
IUPAC Name4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)cn1.COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.Cn1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cncnc2)c1
InChIInChI=1S/C19H13ClF3N3O3.C19H13F4N3O3.C18H11ClF3N3O2.C18H13F4N3O2.C18H11F4N3O2.C17H11F4N3O2/c2*1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;1-25-10-12(9-23-25)15-8-11(2-7-16(15)19)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;18-14-6-1-10(9-13(14)15-7-8-22-24-15)16(25)23-11-2-4-12(5-3-11)26-17(19,20)21/h2*2-10H,1H3,(H,26,27);1-10H,(H,25,26);2-10H,1H3,(H,24,26);1-10H,(H,25,26);1-9H,(H,22,24)(H,23,25)
InChIKeyKVBRQKGRUNEZQL-UHFFFAOYSA-N
XLogP27.52
TPSA398.06 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms165
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002346.75
LogP ≤ 527.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Analyze 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide 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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 159249261) is 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2Cl)cn1.COc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.Cn1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(F)c(-c2cncnc2)c1.
What is the InChIKey of 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KVBRQKGRUNEZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O3.C19H13F4N3O3.C18H11ClF3N3O2.C18H13F4N3O2.C18H11F4N3O2.C17H11F4N3O2/c2*1-28-18-24-9-12(10-25-18)15-8-11(2-7-16(15)20)17(27)26-13-3-5-14(6-4-13)29-19(21,22)23;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;1-25-10-12(9-23-25)15-8-11(2-7-16(15)19)17(26)24-13-3-5-14(6-4-13)27-18(20,21)22;19-16-6-1-11(7-15(16)12-8-23-10-24-9-12)17(26)25-13-2-4-14(5-3-13)27-18(20,21)22;18-14-6-1-10(9-13(14)15-7-8-22-24-15)16(25)23-11-2-4-12(5-3-11)26-17(19,20)21/h2*2-10H,1H3,(H,26,27);1-10H,(H,25,26);2-10H,1H3,(H,24,26);1-10H,(H,25,26);1-9H,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 2346.75 g/mol, XLogP of 27.52, 26 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-chloro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(2-methoxypyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1-methylpyrazol-4-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzamide;4-fluoro-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 159249261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).