3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide

C18H15BrN2O2 — CID 121084699

IUPAC3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H15BrN2O2/c19-15-6-3-5-14(11-15)18(22)21(13-17-8-4-10-23-17)12-16-7-1-2-9-20-16/h1-11H,12-13H2
InChIKeyWVNNHIYCJOOCDO-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.28
Rot. Bonds5

About 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide

3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 121084699) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID121084699
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H15BrN2O2/c19-15-6-3-5-14(11-15)18(22)21(13-17-8-4-10-23-17)12-16-7-1-2-9-20-16/h1-11H,12-13H2
InChIKeyWVNNHIYCJOOCDO-UHFFFAOYSA-N
XLogP4.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084721
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 70763383
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 121084627
N-(furan-2-ylmethyl)-3,4,5-trimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 121084710
3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42706159
N-(furan-2-ylmethyl)-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 121084660
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 4085276
2-chloro-6-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56724069
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084809
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide (CID 121084699) is 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide is O=C(c1cccc(Br)c1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is WVNNHIYCJOOCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-15-6-3-5-14(11-15)18(22)21(13-17-8-4-10-23-17)12-16-7-1-2-9-20-16/h1-11H,12-13H2.
What are the key properties of 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide?
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 371.23 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 121084699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).