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

C17H20ClN3O4 — CID 17257412

IUPACN-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H20ClN3O4/c18-14-7-6-13(21(24)25)9-15(14)19-17(23)11-8-16(22)20(10-11)12-4-2-1-3-5-12/h6-7,9,11-12H,1-5,8,10H2,(H,19,23)
InChIKeySVLSAUHLGNHWQD-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.37
Rot. Bonds4

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

N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17257412) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17257412
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC NameN-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H20ClN3O4/c18-14-7-6-13(21(24)25)9-15(14)19-17(23)11-8-16(22)20(10-11)12-4-2-1-3-5-12/h6-7,9,11-12H,1-5,8,10H2,(H,19,23)
InChIKeySVLSAUHLGNHWQD-UHFFFAOYSA-N
XLogP3.37
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.37
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

1-cyclopentyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081334
N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55916981
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358
1-cyclopropyl-N-(2-methoxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 71944436
N-(2-chloro-5-nitrophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082308
(3R)-1-cyclopentyl-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364649
N-(4-chloro-2,5-dimethoxyphenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185580
(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 6920596
1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616
N-(2-chloro-5-nitrophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17191888
N-[2-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 24514336

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 17257412) is N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SVLSAUHLGNHWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c18-14-7-6-13(21(24)25)9-15(14)19-17(23)11-8-16(22)20(10-11)12-4-2-1-3-5-12/h6-7,9,11-12H,1-5,8,10H2,(H,19,23).
What are the key properties of N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-nitrophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17257412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).