5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide

C20H18BrNO3 — CID 46465244

IUPAC5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C20H18BrNO3/c21-19-11-10-18(25-19)20(23)22-12-16-8-4-5-9-17(16)14-24-13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,23)
InChIKeyAIVULNZRQLONDZ-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.69
Rot. Bonds7

About 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide

5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 46465244) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID46465244
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccccc1COCc1ccccc1)c1ccc(Br)o1
InChIInChI=1S/C20H18BrNO3/c21-19-11-10-18(25-19)20(23)22-12-16-8-4-5-9-17(16)14-24-13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,23)
InChIKeyAIVULNZRQLONDZ-UHFFFAOYSA-N
XLogP4.69
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
2,4,5-trimethyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-3-carboxamide
CID 46456653
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
CID 108571926
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55762787
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
N-[(3-amino-2-methylphenyl)methyl]-5-bromofuran-2-carboxamide
CID 103109774
2,5-dichloro-N-[[2-(phenylmethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 55694446

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide (CID 46465244) is 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1ccccc1COCc1ccccc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is AIVULNZRQLONDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c21-19-11-10-18(25-19)20(23)22-12-16-8-4-5-9-17(16)14-24-13-15-6-2-1-3-7-15/h1-11H,12-14H2,(H,22,23).
What are the key properties of 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide?
5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 400.27 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 46465244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).