3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

C25H28FN3O2 — CID 30885363

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28FN3O2/c26-23-9-5-4-8-22(23)24-12-10-21(31-24)11-13-25(30)27-14-15-28-16-18-29(19-17-28)20-6-2-1-3-7-20/h1-10,12H,11,13-19H2,(H,27,30)
InChIKeyVAEFFGDMRNHNIM-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.96
Rot. Bonds8

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (PubChem CID 30885363) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
PubChem CID30885363
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2F)o1)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28FN3O2/c26-23-9-5-4-8-22(23)24-12-10-21(31-24)11-13-25(30)27-14-15-28-16-18-29(19-17-28)20-6-2-1-3-7-20/h1-10,12H,11,13-19H2,(H,27,30)
InChIKeyVAEFFGDMRNHNIM-UHFFFAOYSA-N
XLogP3.96
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 30598254
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 43067002
N-[2-(ethylamino)ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119506756
N-(3-aminobutyl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 119496957
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 166191449
N-[2-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]ethyl]furan-2-carboxamide
CID 24683496
3-[5-(2-fluorophenyl)furan-2-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 38575569
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 18163857
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
4-[3-[5-(2-fluorophenyl)furan-2-yl]propanoylamino]cyclohexane-1-carboxylic acid
CID 119229769
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 134041285
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 51941799

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide (CID 30885363) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is O=C(CCc1ccc(-c2ccccc2F)o1)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is VAEFFGDMRNHNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-23-9-5-4-8-22(23)24-12-10-21(31-24)11-13-25(30)27-14-15-28-16-18-29(19-17-28)20-6-2-1-3-7-20/h1-10,12H,11,13-19H2,(H,27,30).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 421.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 30885363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).