2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride

C19H23ClN2O — CID 119701682

IUPAC2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C19H22N2O.ClH/c22-19(15-20-17-10-5-2-6-11-17)21-13-7-12-18(21)14-16-8-3-1-4-9-16;/h1-6,8-11,18,20H,7,12-15H2;1H
InChIKeyPWFVZGOIUVIUAQ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.75
Rot. Bonds5

About 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride

2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride (PubChem CID 119701682) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
PubChem CID119701682
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
SMILESCl.O=C(CNc1ccccc1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C19H22N2O.ClH/c22-19(15-20-17-10-5-2-6-11-17)21-13-7-12-18(21)14-16-8-3-1-4-9-16;/h1-6,8-11,18,20H,7,12-15H2;1H
InChIKeyPWFVZGOIUVIUAQ-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-anilinoacetyl)pyrrolidin-2-yl]acetic acid
CID 61372139
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-bromobenzamide
CID 112809261
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 51338008
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
(2S)-1-(2-anilinoacetyl)pyrrolidine-2-carbonitrile
CID 71567750
2-acetamido-N-[2-[(2R)-2-benzylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95286390
2-benzyl-N-phenylpyrrolidine-1-carbothioamide
CID 134100768
7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-3-fluorobenzamide
CID 78839778
1-(2-anilinoacetyl)piperidine-2-carboxamide
CID 54940061

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride (CID 119701682) is 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride is Cl.O=C(CNc1ccccc1)N1CCCC1Cc1ccccc1.
What is the InChIKey of 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride?
The InChIKey is PWFVZGOIUVIUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.ClH/c22-19(15-20-17-10-5-2-6-11-17)21-13-7-12-18(21)14-16-8-3-1-4-9-16;/h1-6,8-11,18,20H,7,12-15H2;1H.
What are the key properties of 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride?
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119701682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).