2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide

C22H22ClN3O2 — CID 166631179

IUPAC2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
SMILESCOCCNCc1ccc(NC(=O)c2cccc(-c3ccccc3)c2Cl)nc1
InChIInChI=1S/C22H22ClN3O2/c1-28-13-12-24-14-16-10-11-20(25-15-16)26-22(27)19-9-5-8-18(21(19)23)17-6-3-2-4-7-17/h2-11,15,24H,12-14H2,1H3,(H,25,26,27)
InChIKeyAGKZRIBBEVGPII-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.39
Rot. Bonds8

About 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide

2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide (PubChem CID 166631179) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
PubChem CID166631179
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
SMILESCOCCNCc1ccc(NC(=O)c2cccc(-c3ccccc3)c2Cl)nc1
InChIInChI=1S/C22H22ClN3O2/c1-28-13-12-24-14-16-10-11-20(25-15-16)26-22(27)19-9-5-8-18(21(19)23)17-6-3-2-4-7-17/h2-11,15,24H,12-14H2,1H3,(H,25,26,27)
InChIKeyAGKZRIBBEVGPII-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide?
The IUPAC name of 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide (CID 166631179) is 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide.
What is the SMILES notation for 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide?
The canonical SMILES for 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide is COCCNCc1ccc(NC(=O)c2cccc(-c3ccccc3)c2Cl)nc1.
What is the InChIKey of 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide?
The InChIKey is AGKZRIBBEVGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-28-13-12-24-14-16-10-11-20(25-15-16)26-22(27)19-9-5-8-18(21(19)23)17-6-3-2-4-7-17/h2-11,15,24H,12-14H2,1H3,(H,25,26,27).
What are the key properties of 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide?
2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide has a molecular weight of 395.89 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide is sourced from PubChem (CID 166631179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).