2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

C13H16Cl2N2O — CID 119509719

IUPAC2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCC1CCCN1
InChIInChI=1S/C13H16Cl2N2O/c14-10-4-3-9(12(15)7-10)6-13(18)17-8-11-2-1-5-16-11/h3-4,7,11,16H,1-2,5-6,8H2,(H,17,18)
InChIKeyVTUWJFHXVPERCY-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.40
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 119509719) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID119509719
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCC1CCCN1
InChIInChI=1S/C13H16Cl2N2O/c14-10-4-3-9(12(15)7-10)6-13(18)17-8-11-2-1-5-16-11/h3-4,7,11,16H,1-2,5-6,8H2,(H,17,18)
InChIKeyVTUWJFHXVPERCY-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459765
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 63045287
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514667
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806355
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511583
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (CID 119509719) is 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1Cl)NCC1CCCN1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is VTUWJFHXVPERCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-10-4-3-9(12(15)7-10)6-13(18)17-8-11-2-1-5-16-11/h3-4,7,11,16H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 287.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 119509719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).