4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide

C20H17BrN2O2 — CID 2193327

IUPAC4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C20H17BrN2O2/c21-18-5-1-2-6-19(18)25-14-15-7-9-17(10-8-15)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24)
InChIKeyVPJYHDWSWGLERV-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.35
Rot. Bonds6

About 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide

4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2193327) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2193327
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C20H17BrN2O2/c21-18-5-1-2-6-19(18)25-14-15-7-9-17(10-8-15)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24)
InChIKeyVPJYHDWSWGLERV-UHFFFAOYSA-N
XLogP4.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
5-(naphthalen-1-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 2193327) is 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is VPJYHDWSWGLERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c21-18-5-1-2-6-19(18)25-14-15-7-9-17(10-8-15)20(24)23-13-16-4-3-11-22-12-16/h1-12H,13-14H2,(H,23,24).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide?
4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 397.27 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2193327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).