5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide

C21H19BrN2O4 — CID 55778152

IUPAC5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C21H19BrN2O4/c1-23-20(25)11-14-5-2-3-8-18(14)24-21(26)19-10-9-17(28-19)13-27-16-7-4-6-15(22)12-16/h2-10,12H,11,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyZDOPDBBBZCPWCO-UHFFFAOYSA-N
MW443.30 g/mol
LogP4.16
Rot. Bonds7

About 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide

5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide (PubChem CID 55778152) has the molecular formula C21H19BrN2O4 and a molecular weight of 443.30 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
PubChem CID55778152
Molecular FormulaC21H19BrN2O4
Molecular Weight443.30 g/mol
Exact Mass442.05
IUPAC Name5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C21H19BrN2O4/c1-23-20(25)11-14-5-2-3-8-18(14)24-21(26)19-10-9-17(28-19)13-27-16-7-4-6-15(22)12-16/h2-10,12H,11,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyZDOPDBBBZCPWCO-UHFFFAOYSA-N
XLogP4.16
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.30
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]-3-methylphenoxy]acetate
CID 55917271
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 55778335
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]phenoxy]acetate
CID 55779946
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
5-[(3-chlorophenoxy)methyl]-N-(2-chlorophenyl)furan-2-carboxamide
CID 35526540
5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide
CID 55775124
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N-(1-amino-2-cyclopropylpropan-2-yl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide
CID 119575372
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide (CID 55778152) is 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide is CNC(=O)Cc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide?
The InChIKey is ZDOPDBBBZCPWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4/c1-23-20(25)11-14-5-2-3-8-18(14)24-21(26)19-10-9-17(28-19)13-27-16-7-4-6-15(22)12-16/h2-10,12H,11,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide?
5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide has a molecular weight of 443.30 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55778152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).