N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide

C14H17ClN2O3 — CID 111798621

IUPACN-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N1CCC(CO)C1
InChIInChI=1S/C14H17ClN2O3/c1-9-2-3-11(15)6-12(9)16-13(19)14(20)17-5-4-10(7-17)8-18/h2-3,6,10,18H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyZISYVLGWIPKJCU-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.43
Rot. Bonds2

About N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide

N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide (PubChem CID 111798621) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
PubChem CID111798621
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)N1CCC(CO)C1
InChIInChI=1S/C14H17ClN2O3/c1-9-2-3-11(15)6-12(9)16-13(19)14(20)17-5-4-10(7-17)8-18/h2-3,6,10,18H,4-5,7-8H2,1H3,(H,16,19)
InChIKeyZISYVLGWIPKJCU-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
N-(3,4-dichlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798594
N-(3-chloro-4-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901727
N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 75510503
N-(2,4-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901731
N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886563
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
N-(3-fluoro-4-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 111797779
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
[5-chloro-2-(propylamino)phenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967017
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide (CID 111798621) is N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide is Cc1ccc(Cl)cc1NC(=O)C(=O)N1CCC(CO)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide?
The InChIKey is ZISYVLGWIPKJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9-2-3-11(15)6-12(9)16-13(19)14(20)17-5-4-10(7-17)8-18/h2-3,6,10,18H,4-5,7-8H2,1H3,(H,16,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide?
N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide has a molecular weight of 296.75 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 111798621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).