2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide

C13H15ClN2O — CID 143751691

IUPAC2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide
SMILESNC(=O)CC1CC=C(c2ccccc2CCl)N1
InChIInChI=1S/C13H15ClN2O/c14-8-9-3-1-2-4-11(9)12-6-5-10(16-12)7-13(15)17/h1-4,6,10,16H,5,7-8H2,(H2,15,17)
InChIKeyPVVREINOKZAUSE-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.00
Rot. Bonds4

About 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide

2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide (PubChem CID 143751691) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide
PubChem CID143751691
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide
SMILESNC(=O)CC1CC=C(c2ccccc2CCl)N1
InChIInChI=1S/C13H15ClN2O/c14-8-9-3-1-2-4-11(9)12-6-5-10(16-12)7-13(15)17/h1-4,6,10,16H,5,7-8H2,(H2,15,17)
InChIKeyPVVREINOKZAUSE-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide?
The IUPAC name of 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide (CID 143751691) is 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide.
What is the SMILES notation for 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide?
The canonical SMILES for 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide is NC(=O)CC1CC=C(c2ccccc2CCl)N1.
What is the InChIKey of 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide?
The InChIKey is PVVREINOKZAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-8-9-3-1-2-4-11(9)12-6-5-10(16-12)7-13(15)17/h1-4,6,10,16H,5,7-8H2,(H2,15,17).
What are the key properties of 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide?
2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide has a molecular weight of 250.73 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(chloromethyl)phenyl]-2,3-dihydro-1H-pyrrol-2-yl]acetamide is sourced from PubChem (CID 143751691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).