(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide

C20H18F2N2O2 — CID 86939695

IUPAC(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide
SMILESC/C(=C/C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H18F2N2O2/c1-13(14-4-2-5-15(21)11-14)10-19(25)23-16-7-8-18(17(22)12-16)24-9-3-6-20(24)26/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,23,25)/b13-10-
InChIKeyPPHPUAFJEQZXHS-RAXLEYEMSA-N
MW356.37 g/mol
LogP4.13
Rot. Bonds4

About (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide

(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide (PubChem CID 86939695) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide
PubChem CID86939695
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide
SMILESC/C(=C/C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H18F2N2O2/c1-13(14-4-2-5-15(21)11-14)10-19(25)23-16-7-8-18(17(22)12-16)24-9-3-6-20(24)26/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,23,25)/b13-10-
InChIKeyPPHPUAFJEQZXHS-RAXLEYEMSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-fluorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 17450171
N-(3-fluorophenyl)-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679287
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 86939769
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
3-cyclopentyloxy-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 86939694
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
3,5-dichloro-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-methoxybenzamide
CID 86939994
3-[[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122080094
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 86939681
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680044
2,6-difluoro-N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687375
2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide
CID 120989674

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide?
The IUPAC name of (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide (CID 86939695) is (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide.
What is the SMILES notation for (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide?
The canonical SMILES for (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide is C/C(=C/C(=O)Nc1ccc(N2CCCC2=O)c(F)c1)c1cccc(F)c1.
What is the InChIKey of (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide?
The InChIKey is PPHPUAFJEQZXHS-RAXLEYEMSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-13(14-4-2-5-15(21)11-14)10-19(25)23-16-7-8-18(17(22)12-16)24-9-3-6-20(24)26/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,23,25)/b13-10-.
What are the key properties of (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide?
(Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide has a molecular weight of 356.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(3-fluorophenyl)but-2-enamide is sourced from PubChem (CID 86939695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).