2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide

C23H23FN2O4 — CID 141216459

IUPAC2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide
SMILESCCOCCOc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C23H23FN2O4/c1-2-28-12-13-29-21-10-9-19(30-16-17-6-5-7-18(24)14-17)15-20(21)23(27)26-22-8-3-4-11-25-22/h3-11,14-15H,2,12-13,16H2,1H3,(H,25,26,27)
InChIKeyPJZALVFIYBUKBP-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.47
Rot. Bonds10

About 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide

2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide (PubChem CID 141216459) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide
PubChem CID141216459
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide
SMILESCCOCCOc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccccn1
InChIInChI=1S/C23H23FN2O4/c1-2-28-12-13-29-21-10-9-19(30-16-17-6-5-7-18(24)14-17)15-20(21)23(27)26-22-8-3-4-11-25-22/h3-11,14-15H,2,12-13,16H2,1H3,(H,25,26,27)
InChIKeyPJZALVFIYBUKBP-UHFFFAOYSA-N
XLogP4.47
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.47
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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Related Compounds

2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-(1,2-oxazol-3-yl)benzamide
CID 141216489
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
6-[[2-(cyclopropylmethoxy)-5-[(3-fluorophenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 71556639
3-cyano-4-(2-ethoxyethoxy)-N-pyridin-2-ylbenzamide
CID 175189207
4-[(3-fluorophenoxy)methyl]-N-pyridin-2-ylthiophene-2-carboxamide
CID 19493237
5-[[5-[(3-fluorophenyl)methoxy]-2-propan-2-yloxybenzoyl]amino]pyridine-3-carboxylic acid
CID 141216527
N-[4-(2-ethoxyethoxy)phenyl]-2-phenylmethoxybenzamide
CID 17130628
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
2-[(2-ethoxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 90010791
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxy-4-(2-methoxyethoxy)benzamide
CID 72704750
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide (CID 141216459) is 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide is CCOCCOc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccccn1.
What is the InChIKey of 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide?
The InChIKey is PJZALVFIYBUKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-2-28-12-13-29-21-10-9-19(30-16-17-6-5-7-18(24)14-17)15-20(21)23(27)26-22-8-3-4-11-25-22/h3-11,14-15H,2,12-13,16H2,1H3,(H,25,26,27).
What are the key properties of 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide?
2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide has a molecular weight of 410.45 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-5-[(3-fluorophenyl)methoxy]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 141216459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).