N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide

C17H14FN3O4 — CID 7255372

IUPACN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
SMILESO=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14FN3O4/c18-12-4-2-5-14(8-12)20-10-13(9-16(20)22)19-17(23)11-3-1-6-15(7-11)21(24)25/h1-8,13H,9-10H2,(H,19,23)/t13-/m1/s1
InChIKeyHLKDWBRZJIOZSY-CYBMUJFWSA-N
MW343.31 g/mol
LogP2.27
Rot. Bonds4

About N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide

N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide (PubChem CID 7255372) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
PubChem CID7255372
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC NameN-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
SMILESO=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14FN3O4/c18-12-4-2-5-14(8-12)20-10-13(9-16(20)22)19-17(23)11-3-1-6-15(7-11)21(24)25/h1-8,13H,9-10H2,(H,19,23)/t13-/m1/s1
InChIKeyHLKDWBRZJIOZSY-CYBMUJFWSA-N
XLogP2.27
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 18573380
N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7548189
N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide
CID 7255032
3,4-difluoro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563424
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 43971113
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-methoxybenzamide
CID 7563379
(Z)-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255427
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 43970886
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-fluorobenzamide
CID 7547727
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 41106608
3-fluoro-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547228
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide?
The IUPAC name of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide (CID 7255372) is N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide.
What is the SMILES notation for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide?
The canonical SMILES for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide is O=C(N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide?
The InChIKey is HLKDWBRZJIOZSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H14FN3O4/c18-12-4-2-5-14(8-12)20-10-13(9-16(20)22)19-17(23)11-3-1-6-15(7-11)21(24)25/h1-8,13H,9-10H2,(H,19,23)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide?
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide has a molecular weight of 343.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-nitrobenzamide is sourced from PubChem (CID 7255372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).