N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide

C23H23FN2O3 — CID 32645882

IUPACN-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C23H23FN2O3/c24-20-7-11-21(12-8-20)28-15-2-1-14-26-23(27)19-5-9-22(10-6-19)29-17-18-4-3-13-25-16-18/h3-13,16H,1-2,14-15,17H2,(H,26,27)
InChIKeyGNAIXDYCCCKVOT-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.39
Rot. Bonds10

About N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide

N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 32645882) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID32645882
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESO=C(NCCCCOc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C23H23FN2O3/c24-20-7-11-21(12-8-20)28-15-2-1-14-26-23(27)19-5-9-22(10-6-19)29-17-18-4-3-13-25-16-18/h3-13,16H,1-2,14-15,17H2,(H,26,27)
InChIKeyGNAIXDYCCCKVOT-UHFFFAOYSA-N
XLogP4.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
CID 30853271
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
4-cyano-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572241
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
N'-[2-(4-fluorophenoxy)ethoxy]-4-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 76877849
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 32645882) is N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide is O=C(NCCCCOc1ccc(F)cc1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is GNAIXDYCCCKVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c24-20-7-11-21(12-8-20)28-15-2-1-14-26-23(27)19-5-9-22(10-6-19)29-17-18-4-3-13-25-16-18/h3-13,16H,1-2,14-15,17H2,(H,26,27).
What are the key properties of N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide?
N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 394.45 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)butyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 32645882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).