N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C14H16ClN3O5 — CID 108805559

IUPACN-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O
InChIInChI=1S/C14H16ClN3O5/c1-23-5-4-17-8-9(6-13(17)19)14(20)16-10-2-3-11(15)12(7-10)18(21)22/h2-3,7,9H,4-6,8H2,1H3,(H,16,20)
InChIKeyNGLOAEJLVMRKRJ-UHFFFAOYSA-N
MW341.75 g/mol
LogP1.68
Rot. Bonds6

About N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108805559) has the molecular formula C14H16ClN3O5 and a molecular weight of 341.75 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108805559
Molecular FormulaC14H16ClN3O5
Molecular Weight341.75 g/mol
Exact Mass341.08
IUPAC NameN-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O
InChIInChI=1S/C14H16ClN3O5/c1-23-5-4-17-8-9(6-13(17)19)14(20)16-10-2-3-11(15)12(7-10)18(21)22/h2-3,7,9H,4-6,8H2,1H3,(H,16,20)
InChIKeyNGLOAEJLVMRKRJ-UHFFFAOYSA-N
XLogP1.68
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.75
LogP ≤ 51.68
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

(3S)-N-(4-chloro-3-nitrophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 35672102
(3R)-N-(4-chloro-3-nitrophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 35672107
(3R)-1-(2-methoxyethyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 94045996
(3R)-N-(4-chloro-3-nitrophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388767
methyl 3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108805610
(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1331284
(3R)-N-(4-fluoro-3-nitrophenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374197
1-butyl-N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153481
1-(2-methoxyethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108730979
(3S)-1-(2-methoxyethyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 94046070
1-(2-methoxyethyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108741159
(3R)-N-[3-(diethylaminomethyl)phenyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94143241

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 108805559) is N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1=O.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NGLOAEJLVMRKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O5/c1-23-5-4-17-8-9(6-13(17)19)14(20)16-10-2-3-11(15)12(7-10)18(21)22/h2-3,7,9H,4-6,8H2,1H3,(H,16,20).
What are the key properties of N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 341.75 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108805559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).