9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H29Cl2N3O2 — CID 120990399

IUPAC9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CC2CCCC(C1)C2N)C1CCN(c2ccccc2Cl)C1=O.Cl
InChIInChI=1S/C21H28ClN3O2.ClH/c1-24(20(26)15-11-13-5-4-6-14(12-15)19(13)23)18-9-10-25(21(18)27)17-8-3-2-7-16(17)22;/h2-3,7-8,13-15,18-19H,4-6,9-12,23H2,1H3;1H
InChIKeyNRNXRYZRMQQPNK-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.48
Rot. Bonds3

About 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120990399) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120990399
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC Name9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CC2CCCC(C1)C2N)C1CCN(c2ccccc2Cl)C1=O.Cl
InChIInChI=1S/C21H28ClN3O2.ClH/c1-24(20(26)15-11-13-5-4-6-14(12-15)19(13)23)18-9-10-25(21(18)27)17-8-3-2-7-16(17)22;/h2-3,7-8,13-15,18-19H,4-6,9-12,23H2,1H3;1H
InChIKeyNRNXRYZRMQQPNK-UHFFFAOYSA-N
XLogP3.48
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
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N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119323451
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbutanamide;hydrochloride
CID 119783358
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
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(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
3-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119951461
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102556916
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783362

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120990399) is 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CN(C(=O)C1CC2CCCC(C1)C2N)C1CCN(c2ccccc2Cl)C1=O.Cl.
What is the InChIKey of 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is NRNXRYZRMQQPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O2.ClH/c1-24(20(26)15-11-13-5-4-6-14(12-15)19(13)23)18-9-10-25(21(18)27)17-8-3-2-7-16(17)22;/h2-3,7-8,13-15,18-19H,4-6,9-12,23H2,1H3;1H.
What are the key properties of 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 426.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120990399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).