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

C19H16FN3O4 — CID 7255427

IUPAC(Z)-N-[(3S)-1-(3-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(c2cccc(F)c2)C1
InChIInChI=1S/C19H16FN3O4/c20-14-2-1-3-17(10-14)22-12-15(11-19(22)25)21-18(24)9-6-13-4-7-16(8-5-13)23(26)27/h1-10,15H,11-12H2,(H,21,24)/b9-6-/t15-/m0/s1
InChIKeyZALQCFGNPVLOQL-AJHXJQRKSA-N
MW369.35 g/mol
LogP2.67
Rot. Bonds5

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

(Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 7255427) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is (Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
PubChem CID7255427
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name(Z)-N-[(3S)-1-(3-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(c2cccc(F)c2)C1
InChIInChI=1S/C19H16FN3O4/c20-14-2-1-3-17(10-14)22-12-15(11-19(22)25)21-18(24)9-6-13-4-7-16(8-5-13)23(26)27/h1-10,15H,11-12H2,(H,21,24)/b9-6-/t15-/m0/s1
InChIKeyZALQCFGNPVLOQL-AJHXJQRKSA-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'}

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Related Compounds

(Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255516
(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
3-(3,4-dimethoxyphenyl)-N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 71962645
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255372
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41106608
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-diphenylacetamide
CID 7255404
(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7547805
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
tert-butyl N-[1-(3-nitrophenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 156663121

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide (CID 7255427) is (Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[(3S)-1-(3-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(c2cccc(F)c2)C1.
What is the InChIKey of (Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is ZALQCFGNPVLOQL-AJHXJQRKSA-N. The full InChI is InChI=1S/C19H16FN3O4/c20-14-2-1-3-17(10-14)22-12-15(11-19(22)25)21-18(24)9-6-13-4-7-16(8-5-13)23(26)27/h1-10,15H,11-12H2,(H,21,24)/b9-6-/t15-/m0/s1.
What are the key properties of (Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide?
(Z)-N-[(3S)-1-(3-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-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 7255427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).