(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide

C17H23ClN2O2 — CID 9351944

IUPAC(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C17H23ClN2O2/c1-3-4-5-8-19-17(22)13-9-16(21)20(11-13)14-7-6-12(2)15(18)10-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyJRIDMXOBBVANSY-CYBMUJFWSA-N
MW322.84 g/mol
LogP3.31
Rot. Bonds6

About (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide

(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (PubChem CID 9351944) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
PubChem CID9351944
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C17H23ClN2O2/c1-3-4-5-8-19-17(22)13-9-16(21)20(11-13)14-7-6-12(2)15(18)10-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,19,22)/t13-/m1/s1
InChIKeyJRIDMXOBBVANSY-CYBMUJFWSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(3R)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl-dimethylazanium
CID 9351895
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
methyl 2-[[(3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 9351959
1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(1,3-benzodioxol-5-yl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 84503542
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-(2,5-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191072
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109483
(3R)-N-tert-butyl-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438206
1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113188805

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (CID 9351944) is (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is CCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1.
What is the InChIKey of (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is JRIDMXOBBVANSY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-3-4-5-8-19-17(22)13-9-16(21)20(11-13)14-7-6-12(2)15(18)10-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 9351944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).