1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide

C14H19ClN2O2 — CID 106319086

IUPAC1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccc(Cl)cc2CO)C1
InChIInChI=1S/C14H19ClN2O2/c1-14(13(19)16-2)5-6-17(9-14)12-4-3-11(15)7-10(12)8-18/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyARFLKCZIDQPSRI-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.79
Rot. Bonds3

About 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106319086) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106319086
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccc(Cl)cc2CO)C1
InChIInChI=1S/C14H19ClN2O2/c1-14(13(19)16-2)5-6-17(9-14)12-4-3-11(15)7-10(12)8-18/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyARFLKCZIDQPSRI-UHFFFAOYSA-N
XLogP1.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-carbamothioyl-4-chlorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318502
1-(5-chloro-2-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150510
[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
CID 114845752
1-[4-(hydroxymethyl)-3-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318999
1-[4-(aminomethyl)-2,3-difluorophenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317750
1-(4-carbamothioyl-2-chlorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318487
1-[4-(aminomethyl)-2-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319231
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
5-bromo-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106318917
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
1-[3-chloro-2-(ethylaminomethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319211
1-(3-chloro-4-formylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318881

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106319086) is 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2ccc(Cl)cc2CO)C1.
What is the InChIKey of 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is ARFLKCZIDQPSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(13(19)16-2)5-6-17(9-14)12-4-3-11(15)7-10(12)8-18/h3-4,7,18H,5-6,8-9H2,1-2H3,(H,16,19).
What are the key properties of 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(hydroxymethyl)phenyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106319086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).