N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide

C19H21FN4O4 — CID 55650509

IUPACN-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
SMILESO=C(CN1CCN(C(=O)CNC(=O)c2ccoc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O4/c20-15-1-3-16(4-2-15)22-17(25)12-23-6-8-24(9-7-23)18(26)11-21-19(27)14-5-10-28-13-14/h1-5,10,13H,6-9,11-12H2,(H,21,27)(H,22,25)
InChIKeyNUKJJNSXKNDGJX-UHFFFAOYSA-N
MW388.40 g/mol
LogP0.93
Rot. Bonds6

About N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide

N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide (PubChem CID 55650509) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
PubChem CID55650509
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC NameN-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
SMILESO=C(CN1CCN(C(=O)CNC(=O)c2ccoc2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O4/c20-15-1-3-16(4-2-15)22-17(25)12-23-6-8-24(9-7-23)18(26)11-21-19(27)14-5-10-28-13-14/h1-5,10,13H,6-9,11-12H2,(H,21,27)(H,22,25)
InChIKeyNUKJJNSXKNDGJX-UHFFFAOYSA-N
XLogP0.93
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 9021969
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 46429322
N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 55816213
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
2-[4-[2-(2,6-dimethylanilino)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 78822996
N-(4-fluorophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
CID 1091485
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
2-[4-[2-(4-acetylphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022019
N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 34432708
2-[4-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9405198
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide;dihydrochloride
CID 120502556

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide (CID 55650509) is N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide is O=C(CN1CCN(C(=O)CNC(=O)c2ccoc2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is NUKJJNSXKNDGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c20-15-1-3-16(4-2-15)22-17(25)12-23-6-8-24(9-7-23)18(26)11-21-19(27)14-5-10-28-13-14/h1-5,10,13H,6-9,11-12H2,(H,21,27)(H,22,25).
What are the key properties of N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 55650509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).