N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C15H20Cl2N2O — CID 119746685

IUPACN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2O.ClH/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)9-10-3-2-8-17-10;/h1,4-5,10,14,17H,2-3,6-9H2,(H,18,19);1H
InChIKeyMVTJVNGMGPEFOL-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.01
Rot. Bonds3

About N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119746685) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119746685
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NC1CCc2c(Cl)cccc21
InChIInChI=1S/C15H19ClN2O.ClH/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)9-10-3-2-8-17-10;/h1,4-5,10,14,17H,2-3,6-9H2,(H,18,19);1H
InChIKeyMVTJVNGMGPEFOL-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
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1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119746685) is N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)NC1CCc2c(Cl)cccc21.
What is the InChIKey of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is MVTJVNGMGPEFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O.ClH/c16-13-5-1-4-12-11(13)6-7-14(12)18-15(19)9-10-3-2-8-17-10;/h1,4-5,10,14,17H,2-3,6-9H2,(H,18,19);1H.
What are the key properties of N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 315.24 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119746685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).