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

C93H75ClF4N12O10S — CID 162162107

IUPACN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC.C.C#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cscn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ncccc1F
InChIInChI=1S/C20H15F3N2O2.C20H14N2O2.C19H15ClN2O2.C17H12FN3O2.C15H11N3O2S.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-2-15-6-3-7-16(12-15)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-14-19;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;18-15-7-3-9-20-16(15)17(22)21-12-4-1-5-13(10-12)23-14-6-2-8-19-11-14;19-15(14-9-21-10-17-14)18-11-3-1-4-12(7-11)20-13-5-2-6-16-8-13;;/h2-12H,1H3,(H,25,26);1,3-14H,(H,22,23);2-12H,1H3,(H,22,23);1-11H,(H,21,22);1-10H,(H,18,19);2*1H4
InChIKeyZMPXRFFDGVCQPK-UHFFFAOYSA-N
MW1664.21 g/mol
LogP23.16
Rot. Bonds20

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

N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 162162107) has the molecular formula C93H75ClF4N12O10S and a molecular weight of 1664.21 g/mol. Its IUPAC name is N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID162162107
Molecular FormulaC93H75ClF4N12O10S
Molecular Weight1664.21 g/mol
Exact Mass1662.51
IUPAC NameN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide
SMILESC.C.C#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cscn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ncccc1F
InChIInChI=1S/C20H15F3N2O2.C20H14N2O2.C19H15ClN2O2.C17H12FN3O2.C15H11N3O2S.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-2-15-6-3-7-16(12-15)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-14-19;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;18-15-7-3-9-20-16(15)17(22)21-12-4-1-5-13(10-12)23-14-6-2-8-19-11-14;19-15(14-9-21-10-17-14)18-11-3-1-4-12(7-11)20-13-5-2-6-16-8-13;;/h2-12H,1H3,(H,25,26);1,3-14H,(H,22,23);2-12H,1H3,(H,22,23);1-11H,(H,21,22);1-10H,(H,18,19);2*1H4
InChIKeyZMPXRFFDGVCQPK-UHFFFAOYSA-N
XLogP23.16
TPSA281.88 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms121
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001664.21
LogP ≤ 523.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide (CID 162162107) is N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;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;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide is C.C.C#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(C(F)(F)F)c3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1cscn1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ncccc1F.
What is the InChIKey of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZMPXRFFDGVCQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2.C20H14N2O2.C19H15ClN2O2.C17H12FN3O2.C15H11N3O2S.2CH4/c1-13-4-2-5-14(8-13)19(26)25-16-6-3-7-17(10-16)27-18-9-15(11-24-12-18)20(21,22)23;1-2-15-6-3-7-16(12-15)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-14-19;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;18-15-7-3-9-20-16(15)17(22)21-12-4-1-5-13(10-12)23-14-6-2-8-19-11-14;19-15(14-9-21-10-17-14)18-11-3-1-4-12(7-11)20-13-5-2-6-16-8-13;;/h2-12H,1H3,(H,25,26);1,3-14H,(H,22,23);2-12H,1H3,(H,22,23);1-11H,(H,21,22);1-10H,(H,18,19);2*1H4.
What are the key properties of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide?
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1664.21 g/mol, XLogP of 23.16, 20 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-fluoro-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;methane;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 162162107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).