3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C25H26N2O2 — CID 3296520

IUPAC3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c28-25(26-23-13-11-20(12-14-23)18-27-15-4-5-16-27)22-9-6-10-24(17-22)29-19-21-7-2-1-3-8-21/h1-3,6-14,17H,4-5,15-16,18-19H2,(H,26,28)
InChIKeyZWYKUZLVCWTPGF-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.11
Rot. Bonds7

About 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide

3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 3296520) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID3296520
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c28-25(26-23-13-11-20(12-14-23)18-27-15-4-5-16-27)22-9-6-10-24(17-22)29-19-21-7-2-1-3-8-21/h1-3,6-14,17H,4-5,15-16,18-19H2,(H,26,28)
InChIKeyZWYKUZLVCWTPGF-UHFFFAOYSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
3-[(4-chlorophenoxy)methyl]-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 4765536
2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 72710604
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514
3-ethoxy-N-[3-[[4-[(4-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]benzamide
CID 44536823
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylmethoxybenzamide
CID 7085466
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676963
N-(3-chloro-4-fluorophenyl)-3-phenylmethoxybenzamide
CID 1074686
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 3296520) is 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is ZWYKUZLVCWTPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(26-23-13-11-20(12-14-23)18-27-15-4-5-16-27)22-9-6-10-24(17-22)29-19-21-7-2-1-3-8-21/h1-3,6-14,17H,4-5,15-16,18-19H2,(H,26,28).
What are the key properties of 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 3296520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).