N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide

C20H23FN4O4 — CID 8006283

IUPACN-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H23FN4O4/c1-23(13-18(26)22-16-5-2-4-15(21)12-16)14-19(27)24-7-9-25(10-8-24)20(28)17-6-3-11-29-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)
InChIKeyKYWGMQVOIGPLRK-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.27
Rot. Bonds6

About N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide

N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8006283) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
PubChem CID8006283
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC NameN-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H23FN4O4/c1-23(13-18(26)22-16-5-2-4-15(21)12-16)14-19(27)24-7-9-25(10-8-24)20(28)17-6-3-11-29-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)
InChIKeyKYWGMQVOIGPLRK-UHFFFAOYSA-N
XLogP1.27
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004693
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 8932674
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113132400
N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711319
[4-[2-(3-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109262152
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide (CID 8006283) is N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is KYWGMQVOIGPLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c1-23(13-18(26)22-16-5-2-4-15(21)12-16)14-19(27)24-7-9-25(10-8-24)20(28)17-6-3-11-29-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26).
What are the key properties of N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide?
N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 402.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8006283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).