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

C91H62Cl2F6N16O10 — CID 123486701

IUPACN-(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
SMILESC#Cc1cc(F)cc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1ccccn1
InChIInChI=1S/C19H12ClN3O2.C19H14F3N3O2.C19H11F2N3O2.C18H14ClN3O2.C16H11FN4O2/c1-2-13-4-3-5-14(6-13)19(24)23-16-7-15(20)8-17(9-16)25-18-10-21-12-22-11-18;1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-2-12-3-13(5-14(20)4-12)19(25)24-16-6-15(21)7-17(8-16)26-18-9-22-11-23-10-18;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;17-11-5-12(21-16(22)15-3-1-2-4-20-15)7-13(6-11)23-14-8-18-10-19-9-14/h1,3-12H,(H,23,24);2-11H,1H3,(H,25,26);1,3-11H,(H,24,25);2-11H,1H3,(H,22,23);1-10H,(H,21,22)
InChIKeyQOGSONOABSLACQ-UHFFFAOYSA-N
MW1724.49 g/mol
LogP20.25
Rot. Bonds21

About 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

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 (PubChem CID 123486701) has the molecular formula C91H62Cl2F6N16O10 and a molecular weight of 1724.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID123486701
Molecular FormulaC91H62Cl2F6N16O10
Molecular Weight1724.49 g/mol
Exact Mass1722.41
IUPAC NameN-(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
SMILESC#Cc1cc(F)cc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1ccccn1
InChIInChI=1S/C19H12ClN3O2.C19H14F3N3O2.C19H11F2N3O2.C18H14ClN3O2.C16H11FN4O2/c1-2-13-4-3-5-14(6-13)19(24)23-16-7-15(20)8-17(9-16)25-18-10-21-12-22-11-18;1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-2-12-3-13(5-14(20)4-12)19(25)24-16-6-15(21)7-17(8-16)26-18-9-22-11-23-10-18;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;17-11-5-12(21-16(22)15-3-1-2-4-20-15)7-13(6-11)23-14-8-18-10-19-9-14/h1,3-12H,(H,23,24);2-11H,1H3,(H,25,26);1,3-11H,(H,24,25);2-11H,1H3,(H,22,23);1-10H,(H,21,22)
InChIKeyQOGSONOABSLACQ-UHFFFAOYSA-N
XLogP20.25
TPSA333.44 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001724.49
LogP ≤ 520.25
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-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#Cc1cc(F)cc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1ccccn1.
What is the InChIKey of 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?
The InChIKey is QOGSONOABSLACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2.C19H14F3N3O2.C19H11F2N3O2.C18H14ClN3O2.C16H11FN4O2/c1-2-13-4-3-5-14(6-13)19(24)23-16-7-15(20)8-17(9-16)25-18-10-21-12-22-11-18;1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-2-12-3-13(5-14(20)4-12)19(25)24-16-6-15(21)7-17(8-16)26-18-9-22-11-23-10-18;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;17-11-5-12(21-16(22)15-3-1-2-4-20-15)7-13(6-11)23-14-8-18-10-19-9-14/h1,3-12H,(H,23,24);2-11H,1H3,(H,25,26);1,3-11H,(H,24,25);2-11H,1H3,(H,22,23);1-10H,(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 1724.49 g/mol, XLogP of 20.25, 21 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-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 is sourced from PubChem (CID 123486701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).