N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride

C23H30Cl2N2O2 — CID 171707098

IUPACN-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
SMILESCN(CCCOc1ccccc1Cl)C(=O)Cc1ccc(CC2CCNC2)cc1.Cl
InChIInChI=1S/C23H29ClN2O2.ClH/c1-26(13-4-14-28-22-6-3-2-5-21(22)24)23(27)16-19-9-7-18(8-10-19)15-20-11-12-25-17-20;/h2-3,5-10,20,25H,4,11-17H2,1H3;1H
InChIKeyUOBAMMNNEQCELC-UHFFFAOYSA-N
MW437.41 g/mol
LogP4.38
Rot. Bonds9

About N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride

N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride (PubChem CID 171707098) has the molecular formula C23H30Cl2N2O2 and a molecular weight of 437.41 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
PubChem CID171707098
Molecular FormulaC23H30Cl2N2O2
Molecular Weight437.41 g/mol
Exact Mass436.17
IUPAC NameN-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
SMILESCN(CCCOc1ccccc1Cl)C(=O)Cc1ccc(CC2CCNC2)cc1.Cl
InChIInChI=1S/C23H29ClN2O2.ClH/c1-26(13-4-14-28-22-6-3-2-5-21(22)24)23(27)16-19-9-7-18(8-10-19)15-20-11-12-25-17-20;/h2-3,5-10,20,25H,4,11-17H2,1H3;1H
InChIKeyUOBAMMNNEQCELC-UHFFFAOYSA-N
XLogP4.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzimidazol-1-yl)ethyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;dihydrochloride
CID 171325152
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119274437
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
N-(3-ethoxy-2-pyridinyl)-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707004
(2S)-N-[3-(2-chlorophenoxy)propyl]-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 86284149
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
(2S)-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119695444
2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetic acid
CID 115031443
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707924

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride (CID 171707098) is N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride is CN(CCCOc1ccccc1Cl)C(=O)Cc1ccc(CC2CCNC2)cc1.Cl.
What is the InChIKey of N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
The InChIKey is UOBAMMNNEQCELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O2.ClH/c1-26(13-4-14-28-22-6-3-2-5-21(22)24)23(27)16-19-9-7-18(8-10-19)15-20-11-12-25-17-20;/h2-3,5-10,20,25H,4,11-17H2,1H3;1H.
What are the key properties of N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride?
N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride has a molecular weight of 437.41 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171707098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).