N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide

C25H24FN3O5 — CID 55961197

IUPACN-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)CC2)cc1F
InChIInChI=1S/C25H24FN3O5/c1-17-7-8-18(14-21(17)26)25(32)29-11-9-28(10-12-29)23(30)16-34-20-5-2-4-19(15-20)27-24(31)22-6-3-13-33-22/h2-8,13-15H,9-12,16H2,1H3,(H,27,31)
InChIKeyUGOZMXYGLQCIMZ-UHFFFAOYSA-N
MW465.48 g/mol
LogP3.34
Rot. Bonds6

About N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 55961197) has the molecular formula C25H24FN3O5 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID55961197
Molecular FormulaC25H24FN3O5
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC NameN-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)CC2)cc1F
InChIInChI=1S/C25H24FN3O5/c1-17-7-8-18(14-21(17)26)25(32)29-11-9-28(10-12-29)23(30)16-34-20-5-2-4-19(15-20)27-24(31)22-6-3-13-33-22/h2-8,13-15H,9-12,16H2,1H3,(H,27,31)
InChIKeyUGOZMXYGLQCIMZ-UHFFFAOYSA-N
XLogP3.34
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55959407
N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
CID 46407153
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55953436
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174620
1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 119354069
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
N-[3-[2-[4-(4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 39571943
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46407349
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 91937739

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 55961197) is N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)COc3cccc(NC(=O)c4ccco4)c3)CC2)cc1F.
What is the InChIKey of N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is UGOZMXYGLQCIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O5/c1-17-7-8-18(14-21(17)26)25(32)29-11-9-28(10-12-29)23(30)16-34-20-5-2-4-19(15-20)27-24(31)22-6-3-13-33-22/h2-8,13-15H,9-12,16H2,1H3,(H,27,31).
What are the key properties of N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 465.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55961197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).