5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide

C24H19BrN2O3 — CID 55773602

IUPAC5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C24H19BrN2O3/c25-19-7-4-8-20(15-19)29-16-21-9-10-22(30-21)24(28)27-23(17-5-2-1-3-6-17)18-11-13-26-14-12-18/h1-15,23H,16H2,(H,27,28)
InChIKeyMCEGSGURCWMMOO-UHFFFAOYSA-N
MW463.33 g/mol
LogP5.54
Rot. Bonds7

About 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide

5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide (PubChem CID 55773602) has the molecular formula C24H19BrN2O3 and a molecular weight of 463.33 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide
PubChem CID55773602
Molecular FormulaC24H19BrN2O3
Molecular Weight463.33 g/mol
Exact Mass462.06
IUPAC Name5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C24H19BrN2O3/c25-19-7-4-8-20(15-19)29-16-21-9-10-22(30-21)24(28)27-23(17-5-2-1-3-6-17)18-11-13-26-14-12-18/h1-15,23H,16H2,(H,27,28)
InChIKeyMCEGSGURCWMMOO-UHFFFAOYSA-N
XLogP5.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.33
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)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

3-phenylmethoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 60521820
N-(2-amino-1-cyclopropylethyl)-5-[(3-bromophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119616986
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 86925221
2-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-methylamino]propanoic acid
CID 119209498
5-[(3-bromophenoxy)methyl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55778152
5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
3-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-ethylamino]propanoic acid
CID 119191630
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
N-[(R)-(4-chlorophenyl)-pyridin-4-ylmethyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 99938366
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide (CID 55773602) is 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide is O=C(NC(c1ccccc1)c1ccncc1)c1ccc(COc2cccc(Br)c2)o1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide?
The InChIKey is MCEGSGURCWMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O3/c25-19-7-4-8-20(15-19)29-16-21-9-10-22(30-21)24(28)27-23(17-5-2-1-3-6-17)18-11-13-26-14-12-18/h1-15,23H,16H2,(H,27,28).
What are the key properties of 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide?
5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide has a molecular weight of 463.33 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-N-[phenyl(pyridin-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 55773602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).