N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide

C14H19Cl2N3O — CID 106025192

IUPACN-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
SMILESCN1CCCC1CNCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2N3O/c1-19-7-3-4-10(19)8-17-9-13(20)18-14-11(15)5-2-6-12(14)16/h2,5-6,10,17H,3-4,7-9H2,1H3,(H,18,20)
InChIKeyBYEIRWGHOWUJQR-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.62
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide

N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide (PubChem CID 106025192) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
PubChem CID106025192
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC NameN-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
SMILESCN1CCCC1CNCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2N3O/c1-19-7-3-4-10(19)8-17-9-13(20)18-14-11(15)5-2-6-12(14)16/h2,5-6,10,17H,3-4,7-9H2,1H3,(H,18,20)
InChIKeyBYEIRWGHOWUJQR-UHFFFAOYSA-N
XLogP2.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 60855933
N-(2,6-dimethylphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110857550
N-(2,6-difluorophenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110865261
N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide
CID 80600328
N-(2,6-dichlorophenyl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78960893
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
N-(2,6-dichlorophenyl)-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]acetamide
CID 106256841
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60841931
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 3074823
2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 106025288
N-(2,6-dichlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109333831

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide (CID 106025192) is N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide is CN1CCCC1CNCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide?
The InChIKey is BYEIRWGHOWUJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-19-7-3-4-10(19)8-17-9-13(20)18-14-11(15)5-2-6-12(14)16/h2,5-6,10,17H,3-4,7-9H2,1H3,(H,18,20).
What are the key properties of N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide has a molecular weight of 316.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide is sourced from PubChem (CID 106025192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).