N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H22FN3O4 — CID 55537021

IUPACN-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CCCCC1
InChIInChI=1S/C18H22FN3O4/c1-20(13-5-3-2-4-6-13)18(24)12-9-17(23)21(11-12)14-7-8-15(19)16(10-14)22(25)26/h7-8,10,12-13H,2-6,9,11H2,1H3
InChIKeySMRUCUQGIBTTFY-UHFFFAOYSA-N
MW363.39 g/mol
LogP2.88
Rot. Bonds4

About N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 55537021) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID55537021
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC NameN-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C(=O)C1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CCCCC1
InChIInChI=1S/C18H22FN3O4/c1-20(13-5-3-2-4-6-13)18(24)12-9-17(23)21(11-12)14-7-8-15(19)16(10-14)22(25)26/h7-8,10,12-13H,2-6,9,11H2,1H3
InChIKeySMRUCUQGIBTTFY-UHFFFAOYSA-N
XLogP2.88
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
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-cyclooctyl-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46572698
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806
1-(3-chlorophenyl)-N-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46584097
N-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43053261
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 166194357
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46538902
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55762901
N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43056773
N-[(4-chlorophenyl)methyl]-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55536945
N-(3,4-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46538978
N,N-diethyl-4-[1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-sulfonamide
CID 55571165
4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 166199165

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 55537021) is N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(C(=O)C1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SMRUCUQGIBTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-20(13-5-3-2-4-6-13)18(24)12-9-17(23)21(11-12)14-7-8-15(19)16(10-14)22(25)26/h7-8,10,12-13H,2-6,9,11H2,1H3.
What are the key properties of N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55537021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).