N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide

C89H71ClFN13O10S2 — CID 158659974

IUPACN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cscn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1nccs1
InChIInChI=1S/C20H15N3O2.C19H15ClN2O2.C19H15FN2O2.2C15H11N3O2S.CH4/c1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;2*1-13-4-2-5-14(8-13)19(23)22-16-6-3-7-17(10-16)24-18-9-15(20)11-21-12-18;19-15(14-9-21-10-17-14)18-11-3-1-4-12(7-11)20-13-5-2-6-16-8-13;19-14(15-17-7-8-21-15)18-11-3-1-4-12(9-11)20-13-5-2-6-16-10-13;/h2-11,13H,1H3,(H,23,24);2*2-12H,1H3,(H,22,23);2*1-10H,(H,18,19);1H4
InChIKeyICQCAOLFQRPOPK-UHFFFAOYSA-N
MW1601.21 g/mol
LogP21.77
Rot. Bonds20

About N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide

N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 158659974) has the molecular formula C89H71ClFN13O10S2 and a molecular weight of 1601.21 g/mol. Its IUPAC name is N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID158659974
Molecular FormulaC89H71ClFN13O10S2
Molecular Weight1601.21 g/mol
Exact Mass1599.46
IUPAC NameN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cscn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1nccs1
InChIInChI=1S/C20H15N3O2.C19H15ClN2O2.C19H15FN2O2.2C15H11N3O2S.CH4/c1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;2*1-13-4-2-5-14(8-13)19(23)22-16-6-3-7-17(10-16)24-18-9-15(20)11-21-12-18;19-15(14-9-21-10-17-14)18-11-3-1-4-12(7-11)20-13-5-2-6-16-8-13;19-14(15-17-7-8-21-15)18-11-3-1-4-12(9-11)20-13-5-2-6-16-10-13;/h2-11,13H,1H3,(H,23,24);2*2-12H,1H3,(H,22,23);2*1-10H,(H,18,19);1H4
InChIKeyICQCAOLFQRPOPK-UHFFFAOYSA-N
XLogP21.77
TPSA305.67 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001601.21
LogP ≤ 521.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 158659974) is N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide is C.Cc1cccc(C(=O)Nc2cc(C#N)cc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cscn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1nccs1.
What is the InChIKey of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ICQCAOLFQRPOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.C19H15ClN2O2.C19H15FN2O2.2C15H11N3O2S.CH4/c1-14-4-2-5-16(8-14)20(24)23-17-9-15(12-21)10-19(11-17)25-18-6-3-7-22-13-18;2*1-13-4-2-5-14(8-13)19(23)22-16-6-3-7-17(10-16)24-18-9-15(20)11-21-12-18;19-15(14-9-21-10-17-14)18-11-3-1-4-12(7-11)20-13-5-2-6-16-8-13;19-14(15-17-7-8-21-15)18-11-3-1-4-12(9-11)20-13-5-2-6-16-10-13;/h2-11,13H,1H3,(H,23,24);2*2-12H,1H3,(H,22,23);2*1-10H,(H,18,19);1H4.
What are the key properties of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1601.21 g/mol, XLogP of 21.77, 20 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3-cyano-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;methane;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158659974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).