2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide

C16H23ClN2O2 — CID 106610766

IUPAC2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCCCN(CC1CCCN1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-2-10-19(11-14-4-3-9-18-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3
InChIKeyNEPAOOIDVSWYHL-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.71
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide

2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 106610766) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID106610766
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCCCN(CC1CCCN1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O2/c1-2-10-19(11-14-4-3-9-18-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3
InChIKeyNEPAOOIDVSWYHL-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515
3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613335
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106610292
2-(4-chlorophenoxy)-N-(2-pyrrolidin-2-ylethyl)acetamide
CID 114793844
3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613330
2-(4-chlorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 63301188
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
3-(2,2-difluoroethoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610729
3-methoxy-3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106610288
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616029

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide (CID 106610766) is 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide is CCCN(CC1CCCN1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is NEPAOOIDVSWYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-10-19(11-14-4-3-9-18-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14,18H,2-4,9-12H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 310.82 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106610766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).