N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C13H17ClN2O2 — CID 154911446

IUPACN-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCOc1ccccc1)C1C=CCN1
InChIInChI=1S/C13H16N2O2.ClH/c16-13(12-7-4-8-14-12)15-9-10-17-11-5-2-1-3-6-11;/h1-7,12,14H,8-10H2,(H,15,16);1H
InChIKeyJDKVPBYNXVLNQB-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.13
Rot. Bonds5

About N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 154911446) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID154911446
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCOc1ccccc1)C1C=CCN1
InChIInChI=1S/C13H16N2O2.ClH/c16-13(12-7-4-8-14-12)15-9-10-17-11-5-2-1-3-6-11;/h1-7,12,14H,8-10H2,(H,15,16);1H
InChIKeyJDKVPBYNXVLNQB-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[2-(4-phenylpyrimidin-2-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122570692
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
(4R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893769
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
cis-(1R,2S)-2-amino-N-(2-phenoxyethyl)cyclohexane-1-carboxamide
CID 69204145

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 154911446) is N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is Cl.O=C(NCCOc1ccccc1)C1C=CCN1.
What is the InChIKey of N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is JDKVPBYNXVLNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.ClH/c16-13(12-7-4-8-14-12)15-9-10-17-11-5-2-1-3-6-11;/h1-7,12,14H,8-10H2,(H,15,16);1H.
What are the key properties of N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 268.74 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 154911446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).