2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride

C12H16Cl2N2O — CID 119288410

IUPAC2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O.ClH/c13-10-5-3-9(4-6-10)11-2-1-7-15(11)12(16)8-14;/h3-6,11H,1-2,7-8,14H2;1H
InChIKeyHINZTZMOQKLABH-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.38
Rot. Bonds2

About 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride

2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 119288410) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID119288410
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCCC1c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O.ClH/c13-10-5-3-9(4-6-10)11-2-1-7-15(11)12(16)8-14;/h3-6,11H,1-2,7-8,14H2;1H
InChIKeyHINZTZMOQKLABH-UHFFFAOYSA-N
XLogP2.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
3-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119721633
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119721619
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
2-amino-1-[2-(4-tert-butylphenyl)pyrrolidin-1-yl]ethanone
CID 119288426
1-[2-(4-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747298
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 94041150
2-(4-chlorophenyl)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 94457878
(2S)-2-(4-chlorophenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 51694827
1-[2-(4-chlorophenyl)azepan-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 119792739
1-[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 94080637
1-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125145404

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride (CID 119288410) is 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride is Cl.NCC(=O)N1CCCC1c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is HINZTZMOQKLABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O.ClH/c13-10-5-3-9(4-6-10)11-2-1-7-15(11)12(16)8-14;/h3-6,11H,1-2,7-8,14H2;1H.
What are the key properties of 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride?
2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 275.18 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-chlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119288410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).