N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide

C94H66ClF5N16O10 — CID 123921749

IUPACN-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
SMILESC#Cc1ccc(F)c(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)cc(C(F)(F)F)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1
InChIInChI=1S/C20H12F3N3O2.C19H11F2N3O2.C19H14N4O2.C18H14ClN3O2.C18H15N3O2/c1-2-13-4-3-5-14(6-13)19(27)26-16-7-15(20(21,22)23)8-17(9-16)28-18-10-24-12-25-11-18;1-2-12-3-4-18(21)17(5-12)19(25)24-14-6-13(20)7-15(8-14)26-16-9-22-11-23-10-16;1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-4-2-5-14(8-13)18(22)21-15-6-3-7-16(9-15)23-17-10-19-12-20-11-17/h1,3-12H,(H,26,27);1,3-11H,(H,24,25);2-8,10-12H,1H3,(H,23,24);2-11H,1H3,(H,22,23);2-12H,1H3,(H,21,22)
InChIKeyMKNPUQISKBWNDS-UHFFFAOYSA-N
MW1710.11 g/mol
LogP20.32
Rot. Bonds20

About N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide

N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide (PubChem CID 123921749) has the molecular formula C94H66ClF5N16O10 and a molecular weight of 1710.11 g/mol. Its IUPAC name is N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
PubChem CID123921749
Molecular FormulaC94H66ClF5N16O10
Molecular Weight1710.11 g/mol
Exact Mass1708.48
IUPAC NameN-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
SMILESC#Cc1ccc(F)c(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)cc(C(F)(F)F)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1
InChIInChI=1S/C20H12F3N3O2.C19H11F2N3O2.C19H14N4O2.C18H14ClN3O2.C18H15N3O2/c1-2-13-4-3-5-14(6-13)19(27)26-16-7-15(20(21,22)23)8-17(9-16)28-18-10-24-12-25-11-18;1-2-12-3-4-18(21)17(5-12)19(25)24-14-6-13(20)7-15(8-14)26-16-9-22-11-23-10-16;1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-4-2-5-14(8-13)18(22)21-15-6-3-7-16(9-15)23-17-10-19-12-20-11-17/h1,3-12H,(H,26,27);1,3-11H,(H,24,25);2-8,10-12H,1H3,(H,23,24);2-11H,1H3,(H,22,23);2-12H,1H3,(H,21,22)
InChIKeyMKNPUQISKBWNDS-UHFFFAOYSA-N
XLogP20.32
TPSA344.34 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001710.11
LogP ≤ 520.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide with MolForge

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Related Compounds

N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide
CID 123258970
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
CID 123452394
3-[5-[3-cyano-5-[(3-fluorobenzoyl)amino]phenoxy]pyrimidin-1-ium-1-yl]-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-5-(trifluoromethoxy)benzamide
CID 123467811
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 123486701
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
CID 123539794
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 123545878
3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123611632
3-ethynyl-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123641473
3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;3-ethynyl-5-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
CID 123646210
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-fluoropyridine-2-carboxamide;3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide
CID 123731077
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 123738037
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;bis(N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide);3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 123741961

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?
The IUPAC name of N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide (CID 123921749) is N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide.
What is the SMILES notation for N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?
The canonical SMILES for N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide is C#Cc1ccc(F)c(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cc(Oc3cncnc3)cc(C(F)(F)F)c2)c1.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncnc3)c2)c1.
What is the InChIKey of N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?
The InChIKey is MKNPUQISKBWNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2.C19H11F2N3O2.C19H14N4O2.C18H14ClN3O2.C18H15N3O2/c1-2-13-4-3-5-14(6-13)19(27)26-16-7-15(20(21,22)23)8-17(9-16)28-18-10-24-12-25-11-18;1-2-12-3-4-18(21)17(5-12)19(25)24-14-6-13(20)7-15(8-14)26-16-9-22-11-23-10-16;1-13-3-2-4-15(5-13)19(24)23-16-6-14(9-20)7-17(8-16)25-18-10-21-12-22-11-18;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-13-4-2-5-14(8-13)18(22)21-15-6-3-7-16(9-15)23-17-10-19-12-20-11-17/h1,3-12H,(H,26,27);1,3-11H,(H,24,25);2-8,10-12H,1H3,(H,23,24);2-11H,1H3,(H,22,23);2-12H,1H3,(H,21,22).
What are the key properties of N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide?
N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide has a molecular weight of 1710.11 g/mol, XLogP of 20.32, 20 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;5-ethynyl-2-fluoro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide is sourced from PubChem (CID 123921749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).