N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide

C20H13ClN2O2 — CID 58337442

IUPACN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide
SMILESC#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1
InChIInChI=1S/C20H13ClN2O2/c1-2-14-5-3-6-15(9-14)20(24)23-17-7-4-8-18(11-17)25-19-10-16(21)12-22-13-19/h1,3-13H,(H,23,24)
InChIKeyACJXHGWRNUQEIN-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.76
Rot. Bonds4

About N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide

N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide (PubChem CID 58337442) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide
PubChem CID58337442
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC NameN-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide
SMILESC#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1
InChIInChI=1S/C20H13ClN2O2/c1-2-14-5-3-6-15(9-14)20(24)23-17-7-4-8-18(11-17)25-19-10-16(21)12-22-13-19/h1,3-13H,(H,23,24)
InChIKeyACJXHGWRNUQEIN-UHFFFAOYSA-N
XLogP4.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-cyano-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337716
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
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136
N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
CID 141364165
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-methylbenzamide
CID 123209020
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-methylpyridine-2-carboxamide;4-ethoxy-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 159281341
N-[3-[(3-chlorobenzoyl)amino]-5-pyrimidin-5-yloxyphenyl]-3-[(3-chloro-5-pyrimidin-5-yloxyphenyl)carbamoyl]benzonitrilium
CID 123530690
3-ethynyl-2-fluoro-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide
CID 58337432
5-chloro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 58349126
3-cyano-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide
CID 58349175

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide?
The IUPAC name of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide (CID 58337442) is N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide.
What is the SMILES notation for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide?
The canonical SMILES for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide is C#Cc1cccc(C(=O)Nc2cccc(Oc3cncc(Cl)c3)c2)c1.
What is the InChIKey of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide?
The InChIKey is ACJXHGWRNUQEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c1-2-14-5-3-6-15(9-14)20(24)23-17-7-4-8-18(11-17)25-19-10-16(21)12-22-13-19/h1,3-13H,(H,23,24).
What are the key properties of N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide?
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide has a molecular weight of 348.79 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide is sourced from PubChem (CID 58337442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).