N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide

C26H28FN3O4 — CID 42709858

IUPACN-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(COc1ccccc1)N1CCN(CCN(Cc2ccc(F)cc2)C(=O)c2ccco2)CC1
InChIInChI=1S/C26H28FN3O4/c27-22-10-8-21(9-11-22)19-30(26(32)24-7-4-18-33-24)17-14-28-12-15-29(16-13-28)25(31)20-34-23-5-2-1-3-6-23/h1-11,18H,12-17,19-20H2
InChIKeyPBWAWPGVQBYXDN-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.28
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide

N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 42709858) has the molecular formula C26H28FN3O4 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID42709858
Molecular FormulaC26H28FN3O4
Molecular Weight465.53 g/mol
Exact Mass465.21
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESO=C(COc1ccccc1)N1CCN(CCN(Cc2ccc(F)cc2)C(=O)c2ccco2)CC1
InChIInChI=1S/C26H28FN3O4/c27-22-10-8-21(9-11-22)19-30(26(32)24-7-4-18-33-24)17-14-28-12-15-29(16-13-28)25(31)20-34-23-5-2-1-3-6-23/h1-11,18H,12-17,19-20H2
InChIKeyPBWAWPGVQBYXDN-UHFFFAOYSA-N
XLogP3.28
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-4-[2-[(4-fluorophenyl)methyl-(furan-2-carbonyl)amino]ethyl]piperazine-1-carboxamide
CID 42709871
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-4-fluoro-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]benzamide
CID 42723974
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3683511
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-[2-[4-(2-chloro-2-phenylacetyl)piperazin-1-yl]ethyl]-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 42710281
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710155
N,N-dibenzylfuran-2-carboxamide
CID 762503
3-(4-fluorophenyl)-2-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 110352181
N-[2-[4-[(4-fluorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42837793
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-methylbenzamide
CID 42710805
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide (CID 42709858) is N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide is O=C(COc1ccccc1)N1CCN(CCN(Cc2ccc(F)cc2)C(=O)c2ccco2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is PBWAWPGVQBYXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4/c27-22-10-8-21(9-11-22)19-30(26(32)24-7-4-18-33-24)17-14-28-12-15-29(16-13-28)25(31)20-34-23-5-2-1-3-6-23/h1-11,18H,12-17,19-20H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[2-[4-(2-phenoxyacetyl)piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 42709858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).