N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide

C95H75ClF4IN11O10 — CID 157269543

IUPACN-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1
InChIInChI=1S/C20H15F3N2O2.C19H15ClN2O2.C19H15FN2O2.C19H15IN2O2.C18H15N3O2/c1-13-4-2-5-14(8-13)19(26)25-16-9-15(20(21,22)23)10-18(11-16)27-17-6-3-7-24-12-17;3*1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-12H,1H3,(H,25,26);3*2-12H,1H3,(H,22,23);2-12H,1H3,(H,21,22)
InChIKeyAYJLTJBWLYGNPZ-UHFFFAOYSA-N
MW1769.06 g/mol
LogP23.98
Rot. Bonds20

About N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide

N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 157269543) has the molecular formula C95H75ClF4IN11O10 and a molecular weight of 1769.06 g/mol. Its IUPAC name is N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID157269543
Molecular FormulaC95H75ClF4IN11O10
Molecular Weight1769.06 g/mol
Exact Mass1767.44
IUPAC NameN-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1
InChIInChI=1S/C20H15F3N2O2.C19H15ClN2O2.C19H15FN2O2.C19H15IN2O2.C18H15N3O2/c1-13-4-2-5-14(8-13)19(26)25-16-9-15(20(21,22)23)10-18(11-16)27-17-6-3-7-24-12-17;3*1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-12H,1H3,(H,25,26);3*2-12H,1H3,(H,22,23);2-12H,1H3,(H,21,22)
InChIKeyAYJLTJBWLYGNPZ-UHFFFAOYSA-N
XLogP23.98
TPSA268.99 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.06
LogP ≤ 523.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide (CID 157269543) is N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(I)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)cc(C(F)(F)F)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.
What is the InChIKey of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AYJLTJBWLYGNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2.C19H15ClN2O2.C19H15FN2O2.C19H15IN2O2.C18H15N3O2/c1-13-4-2-5-14(8-13)19(26)25-16-9-15(20(21,22)23)10-18(11-16)27-17-6-3-7-24-12-17;3*1-13-4-2-5-14(8-13)19(23)22-16-9-15(20)10-18(11-16)24-17-6-3-7-21-12-17;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-12H,1H3,(H,25,26);3*2-12H,1H3,(H,22,23);2-12H,1H3,(H,21,22).
What are the key properties of N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide?
N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1769.06 g/mol, XLogP of 23.98, 20 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 157269543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).