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

C24H25ClN2O3 — CID 118911752

IUPAC2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccccc1OCc1ccccc1OCCCCCCl
InChIInChI=1S/C24H25ClN2O3/c25-14-6-1-7-16-29-22-12-4-2-9-19(22)18-30-23-13-5-3-11-21(23)24(28)27-20-10-8-15-26-17-20/h2-5,8-13,15,17H,1,6-7,14,16,18H2,(H,27,28)
InChIKeyOTOIEQWNDUQHAU-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.70
Rot. Bonds11

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

2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide (PubChem CID 118911752) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
PubChem CID118911752
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccccc1OCc1ccccc1OCCCCCCl
InChIInChI=1S/C24H25ClN2O3/c25-14-6-1-7-16-29-22-12-4-2-9-19(22)18-30-23-13-5-3-11-21(23)24(28)27-20-10-8-15-26-17-20/h2-5,8-13,15,17H,1,6-7,14,16,18H2,(H,27,28)
InChIKeyOTOIEQWNDUQHAU-UHFFFAOYSA-N
XLogP5.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-nonylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911692
2-[[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide
CID 118911706
2-[(4-methylphenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911654
2-[(3-fluorophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911652
2-[(4-cyanophenyl)methoxy]-N-pyridin-3-ylbenzamide
CID 118911656
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-(16-chlorohexadecoxy)benzoic acid
CID 56630672
methyl 2-(6-chlorohexoxy)benzoate
CID 55053094
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
2-[(2-methoxyacetyl)amino]-N-pyridin-3-ylbenzamide
CID 30337604
N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30887149
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide (CID 118911752) is 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1OCCCCCCl.
What is the InChIKey of 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
The InChIKey is OTOIEQWNDUQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c25-14-6-1-7-16-29-22-12-4-2-9-19(22)18-30-23-13-5-3-11-21(23)24(28)27-20-10-8-15-26-17-20/h2-5,8-13,15,17H,1,6-7,14,16,18H2,(H,27,28).
What are the key properties of 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide?
2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide has a molecular weight of 424.93 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloropentoxy)phenyl]methoxy]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 118911752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).