2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide

C19H15ClFN3O2 — CID 53379976

IUPAC2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
SMILESCOc1cc(F)ccc1-c1ccnc(NC(=O)Cc2ccnc(Cl)c2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-26-16-11-14(21)2-3-15(16)13-5-7-23-18(10-13)24-19(25)9-12-4-6-22-17(20)8-12/h2-8,10-11H,9H2,1H3,(H,23,24,25)
InChIKeyRFKALIFGXRGHBM-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.13
Rot. Bonds5

About 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide

2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide (PubChem CID 53379976) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
PubChem CID53379976
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide
SMILESCOc1cc(F)ccc1-c1ccnc(NC(=O)Cc2ccnc(Cl)c2)c1
InChIInChI=1S/C19H15ClFN3O2/c1-26-16-11-14(21)2-3-15(16)13-5-7-23-18(10-13)24-19(25)9-12-4-6-22-17(20)8-12/h2-8,10-11H,9H2,1H3,(H,23,24,25)
InChIKeyRFKALIFGXRGHBM-UHFFFAOYSA-N
XLogP4.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide (CID 53379976) is 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide is COc1cc(F)ccc1-c1ccnc(NC(=O)Cc2ccnc(Cl)c2)c1.
What is the InChIKey of 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide?
The InChIKey is RFKALIFGXRGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-26-16-11-14(21)2-3-15(16)13-5-7-23-18(10-13)24-19(25)9-12-4-6-22-17(20)8-12/h2-8,10-11H,9H2,1H3,(H,23,24,25).
What are the key properties of 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide?
2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide has a molecular weight of 371.80 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-pyridinyl)-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 53379976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).