(Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide

C19H16FN3O4 — CID 7255516

IUPAC(Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16FN3O4/c20-14-4-8-16(9-5-14)22-12-15(11-19(22)25)21-18(24)10-3-13-1-6-17(7-2-13)23(26)27/h1-10,15H,11-12H2,(H,21,24)/b10-3-/t15-/m1/s1
InChIKeyXEFBSKFOHDDEDX-ITOFIOBYSA-N
MW369.35 g/mol
LogP2.67
Rot. Bonds5

About (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide

(Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 7255516) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID7255516
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name(Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C19H16FN3O4/c20-14-4-8-16(9-5-14)22-12-15(11-19(22)25)21-18(24)10-3-13-1-6-17(7-2-13)23(26)27/h1-10,15H,11-12H2,(H,21,24)/b10-3-/t15-/m1/s1
InChIKeyXEFBSKFOHDDEDX-ITOFIOBYSA-N
XLogP2.67
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255427
(Z)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255208
(Z)-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 16822197
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 178187837
2-(4-nitrophenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254984
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-(4-nitrophenyl)acetamide
CID 7255046
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41106608

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide (CID 7255516) is (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is XEFBSKFOHDDEDX-ITOFIOBYSA-N. The full InChI is InChI=1S/C19H16FN3O4/c20-14-4-8-16(9-5-14)22-12-15(11-19(22)25)21-18(24)10-3-13-1-6-17(7-2-13)23(26)27/h1-10,15H,11-12H2,(H,21,24)/b10-3-/t15-/m1/s1.
What are the key properties of (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide?
(Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 369.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 7255516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).