2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide

C22H21ClN2O4 — CID 130234356

IUPAC2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
SMILESCOCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H21ClN2O4/c1-27-11-12-28-20-9-8-17(23)13-16(20)15-29-21-7-3-2-6-19(21)22(26)25-18-5-4-10-24-14-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)
InChIKeySLQFJJPGHZGRSX-UHFFFAOYSA-N
MW412.87 g/mol
LogP4.59
Rot. Bonds9

About 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide

2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 130234356) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
PubChem CID130234356
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
SMILESCOCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H21ClN2O4/c1-27-11-12-28-20-9-8-17(23)13-16(20)15-29-21-7-3-2-6-19(21)22(26)25-18-5-4-10-24-14-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,26)
InChIKeySLQFJJPGHZGRSX-UHFFFAOYSA-N
XLogP4.59
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide (CID 130234356) is 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide is COCCOc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1.
What is the InChIKey of 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is SLQFJJPGHZGRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-27-11-12-28-20-9-8-17(23)13-16(20)15-29-21-7-3-2-6-19(21)22(26)25-18-5-4-10-24-14-18/h2-10,13-14H,11-12,15H2,1H3,(H,25,26).
What are the key properties of 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 412.87 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(2-methoxyethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 130234356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).