N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride

C20H24ClN3O2 — CID 119529228

IUPACN-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O2.ClH/c21-17(15-8-3-1-4-9-15)14-22-19(24)18-12-7-13-23(18)20(25)16-10-5-2-6-11-16;/h1-6,8-11,17-18H,7,12-14,21H2,(H,22,24);1H
InChIKeyBIQZPKLAMPZIGW-UHFFFAOYSA-N
MW373.88 g/mol
LogP2.53
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119529228) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119529228
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N3O2.ClH/c21-17(15-8-3-1-4-9-15)14-22-19(24)18-12-7-13-23(18)20(25)16-10-5-2-6-11-16;/h1-6,8-11,17-18H,7,12-14,21H2,(H,22,24);1H
InChIKeyBIQZPKLAMPZIGW-UHFFFAOYSA-N
XLogP2.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119527887
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
N-(2-amino-2-phenylethyl)-1-benzoylpiperidine-3-carboxamide
CID 119529448
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
1-benzoyl-N-[2-(diethylamino)-4-methylpentyl]pyrrolidine-2-carboxamide
CID 112823538
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
N-(2-amino-2-phenylethyl)-1-butylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119527737
1-benzoyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl]pyrrolidine-2-carboxamide
CID 112826999
N-(2-amino-2-phenylethyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119528013
1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide
CID 112813971
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride (CID 119529228) is N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride is Cl.NC(CNC(=O)C1CCCN1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BIQZPKLAMPZIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-17(15-8-3-1-4-9-15)14-22-19(24)18-12-7-13-23(18)20(25)16-10-5-2-6-11-16;/h1-6,8-11,17-18H,7,12-14,21H2,(H,22,24);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-1-benzoylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119529228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).