(3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C19H18FN3O5 — CID 9212041

IUPAC(3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O
InChIInChI=1S/C19H18FN3O5/c1-2-28-17-6-4-3-5-15(17)22-11-12(9-18(22)24)19(25)21-13-7-8-14(20)16(10-13)23(26)27/h3-8,10,12H,2,9,11H2,1H3,(H,21,25)/t12-/m1/s1
InChIKeyLFRCOSGVPMGTJO-GFCCVEGCSA-N
MW387.37 g/mol
LogP3.12
Rot. Bonds6

About (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9212041) has the molecular formula C19H18FN3O5 and a molecular weight of 387.37 g/mol. Its IUPAC name is (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9212041
Molecular FormulaC19H18FN3O5
Molecular Weight387.37 g/mol
Exact Mass387.12
IUPAC Name(3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O
InChIInChI=1S/C19H18FN3O5/c1-2-28-17-6-4-3-5-15(17)22-11-12(9-18(22)24)19(25)21-13-7-8-14(20)16(10-13)23(26)27/h3-8,10,12H,2,9,11H2,1H3,(H,21,25)/t12-/m1/s1
InChIKeyLFRCOSGVPMGTJO-GFCCVEGCSA-N
XLogP3.12
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(3R)-1-(2-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7304214
N-(3-chlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886180
(3R)-N-(2,5-difluorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40942309
1-(2-ethoxyphenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886195
(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1331284
(3R)-N-(3-cyanophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9245448
N-[4-(difluoromethoxy)phenyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78594673
N-(4-fluoro-3-nitrophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 146125696
N-(3,4-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46538978
(3S)-N-(2,5-dichlorophenyl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260559
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
(3R)-1-(2-ethoxyphenyl)-5-oxo-N-(3-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 9412968

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 9212041) is (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1=O.
What is the InChIKey of (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LFRCOSGVPMGTJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN3O5/c1-2-28-17-6-4-3-5-15(17)22-11-12(9-18(22)24)19(25)21-13-7-8-14(20)16(10-13)23(26)27/h3-8,10,12H,2,9,11H2,1H3,(H,21,25)/t12-/m1/s1.
What are the key properties of (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-ethoxyphenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9212041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).