N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride

C13H19ClN2O — CID 119670332

IUPACN-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCNC1)c1ccccc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-15(12-6-4-3-5-7-12)13(16)11-8-9-14-10-11;/h3-7,11,14H,2,8-10H2,1H3;1H
InChIKeyFJNCISKQQTVOOC-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.07
Rot. Bonds3

About N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride

N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119670332) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119670332
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCN(C(=O)C1CCNC1)c1ccccc1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-15(12-6-4-3-5-7-12)13(16)11-8-9-14-10-11;/h3-7,11,14H,2,8-10H2,1H3;1H
InChIKeyFJNCISKQQTVOOC-UHFFFAOYSA-N
XLogP2.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706995
N-butyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 119679273
2-[N-(pyrrolidine-3-carbonyl)anilino]acetic acid
CID 63007265
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
(2S,4S)-N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 120616057
N-ethyl-2-methyl-N-phenylpiperidine-4-carboxamide
CID 106738635
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
4-[ethyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784653
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride (CID 119670332) is N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride is CCN(C(=O)C1CCNC1)c1ccccc1.Cl.
What is the InChIKey of N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is FJNCISKQQTVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-2-15(12-6-4-3-5-7-12)13(16)11-8-9-14-10-11;/h3-7,11,14H,2,8-10H2,1H3;1H.
What are the key properties of N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride?
N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119670332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).