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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Related Compounds

N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
CID 114179367
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64813756
N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide
CID 91832335
2-(3-chlorophenyl)-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 110710564
2-(3-chlorophenyl)-N-(4-methoxypyrrolidin-3-yl)acetamide;hydrochloride
CID 136561181
2-(3-chlorophenyl)-1-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 97061949
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
2-(3-chlorophenyl)-N-[1-(cyanomethyl)piperidin-4-yl]acetamide
CID 63625205
3-[(3-chlorophenyl)methyl]-1-methylazetidine
CID 155020955
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388

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).