1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C20H19FN4O6 — CID 55671788

IUPAC1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1
InChIInChI=1S/C20H19FN4O6/c1-22-18(26)11-31-15-4-2-3-13(8-15)23-20(28)12-7-19(27)24(10-12)14-5-6-16(21)17(9-14)25(29)30/h2-6,8-9,12H,7,10-11H2,1H3,(H,22,26)(H,23,28)
InChIKeyYLQDNMGRKWJBAA-UHFFFAOYSA-N
MW430.39 g/mol
LogP1.85
Rot. Bonds7

About 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55671788) has the molecular formula C20H19FN4O6 and a molecular weight of 430.39 g/mol. Its IUPAC name is 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55671788
Molecular FormulaC20H19FN4O6
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1
InChIInChI=1S/C20H19FN4O6/c1-22-18(26)11-31-15-4-2-3-13(8-15)23-20(28)12-7-19(27)24(10-12)14-5-6-16(21)17(9-14)25(29)30/h2-6,8-9,12H,7,10-11H2,1H3,(H,22,26)(H,23,28)
InChIKeyYLQDNMGRKWJBAA-UHFFFAOYSA-N
XLogP1.85
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55673289
1-(4-fluoro-3-nitrophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43055957
1-(4-methoxyphenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46432230
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46460905
N-(3,4-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46538978
N-ethyl-1-(4-fluoro-3-nitrophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 55571397
1-(2-chlorophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46440498
ethyl 4-[[1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 46538983
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55780290
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46538902
1-(4-fluoro-3-nitrophenyl)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55571396
(3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9212041

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55671788) is 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is CNC(=O)COc1cccc(NC(=O)C2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1.
What is the InChIKey of 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YLQDNMGRKWJBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O6/c1-22-18(26)11-31-15-4-2-3-13(8-15)23-20(28)12-7-19(27)24(10-12)14-5-6-16(21)17(9-14)25(29)30/h2-6,8-9,12H,7,10-11H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-nitrophenyl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55671788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).