5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

C15H22Cl2N2O2 — CID 119550406

IUPAC5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-3-8-20-14-5-4-11(16)9-13(14)15(19)18(2)12-6-7-17-10-12;/h4-5,9,12,17H,3,6-8,10H2,1-2H3;1H
InChIKeyZXLQEZORVIEUAF-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.98
Rot. Bonds5

About 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119550406) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119550406
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCOc1ccc(Cl)cc1C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-3-8-20-14-5-4-11(16)9-13(14)15(19)18(2)12-6-7-17-10-12;/h4-5,9,12,17H,3,6-8,10H2,1-2H3;1H
InChIKeyZXLQEZORVIEUAF-UHFFFAOYSA-N
XLogP2.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
2-[(4-chlorophenyl)methoxy]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552537
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119554680
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
(E)-N-methyl-3-(2-propoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82177024
7-chloro-N-methyl-N-pyrrolidin-3-ylquinoline-4-carboxamide
CID 138050895
2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119550406) is 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCOc1ccc(Cl)cc1C(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is ZXLQEZORVIEUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-3-8-20-14-5-4-11(16)9-13(14)15(19)18(2)12-6-7-17-10-12;/h4-5,9,12,17H,3,6-8,10H2,1-2H3;1H.
What are the key properties of 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119550406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).