N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide

C14H19ClN2O2 — CID 114796128

IUPACN-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
SMILESO=C(COCCC1CCNC1)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c15-12-3-1-2-4-13(12)17-14(18)10-19-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeyIDOIYYNEWJLSAY-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.29
Rot. Bonds6

About N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide

N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide (PubChem CID 114796128) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
PubChem CID114796128
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide
SMILESO=C(COCCC1CCNC1)Nc1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c15-12-3-1-2-4-13(12)17-14(18)10-19-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeyIDOIYYNEWJLSAY-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide (CID 114796128) is N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide is O=C(COCCC1CCNC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide?
The InChIKey is IDOIYYNEWJLSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-3-1-2-4-13(12)17-14(18)10-19-8-6-11-5-7-16-9-11/h1-4,11,16H,5-10H2,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide?
N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-pyrrolidin-3-ylethoxy)acetamide is sourced from PubChem (CID 114796128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).