2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide

C16H24ClN3O — CID 91922788

IUPAC2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide
SMILESCN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-19(2)9-13-10-20(3)11-15(13)18-16(21)8-12-5-4-6-14(17)7-12/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyYWMWAPAFISBKIV-UKRRQHHQSA-N
MW309.84 g/mol
LogP1.49
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide

2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide (PubChem CID 91922788) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide
PubChem CID91922788
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide
SMILESCN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H24ClN3O/c1-19(2)9-13-10-20(3)11-15(13)18-16(21)8-12-5-4-6-14(17)7-12/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1
InChIKeyYWMWAPAFISBKIV-UKRRQHHQSA-N
XLogP1.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide (CID 91922788) is 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide is CN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide?
The InChIKey is YWMWAPAFISBKIV-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-19(2)9-13-10-20(3)11-15(13)18-16(21)8-12-5-4-6-14(17)7-12/h4-7,13,15H,8-11H2,1-3H3,(H,18,21)/t13-,15-/m1/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide?
2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91922788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).