5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide

C22H21BrN2O5 — CID 55775124

IUPAC5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide
SMILESCOCC(=O)Nc1cccc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1
InChIInChI=1S/C22H21BrN2O5/c1-28-14-21(26)25-17-6-2-4-15(10-17)12-24-22(27)20-9-8-19(30-20)13-29-18-7-3-5-16(23)11-18/h2-11H,12-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyNNOPPTYXWXDPCO-UHFFFAOYSA-N
MW473.32 g/mol
LogP4.14
Rot. Bonds9

About 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide

5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide (PubChem CID 55775124) has the molecular formula C22H21BrN2O5 and a molecular weight of 473.32 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide
PubChem CID55775124
Molecular FormulaC22H21BrN2O5
Molecular Weight473.32 g/mol
Exact Mass472.06
IUPAC Name5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide
SMILESCOCC(=O)Nc1cccc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1
InChIInChI=1S/C22H21BrN2O5/c1-28-14-21(26)25-17-6-2-4-15(10-17)12-24-22(27)20-9-8-19(30-20)13-29-18-7-3-5-16(23)11-18/h2-11H,12-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyNNOPPTYXWXDPCO-UHFFFAOYSA-N
XLogP4.14
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]phenoxy]acetate
CID 55779946
5-[(3-bromophenoxy)methyl]-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55777807
N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 46401322
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55778152
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55843556
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
CID 55917271
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide (CID 55775124) is 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide is COCC(=O)Nc1cccc(CNC(=O)c2ccc(COc3cccc(Br)c3)o2)c1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide?
The InChIKey is NNOPPTYXWXDPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O5/c1-28-14-21(26)25-17-6-2-4-15(10-17)12-24-22(27)20-9-8-19(30-20)13-29-18-7-3-5-16(23)11-18/h2-11H,12-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide?
5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide has a molecular weight of 473.32 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 55775124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).