2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride

C16H23Cl2N3O4 — CID 119651087

IUPAC2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C16H22ClN3O4.ClH/c1-19-8-11-4-3-5-20(11)16(22)10-6-12(17)15(13(7-10)23-2)24-9-14(18)21;/h6-7,11,19H,3-5,8-9H2,1-2H3,(H2,18,21);1H
InChIKeyJZVJKJOHPATHLX-UHFFFAOYSA-N
MW392.28 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride

2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride (PubChem CID 119651087) has the molecular formula C16H23Cl2N3O4 and a molecular weight of 392.28 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride
PubChem CID119651087
Molecular FormulaC16H23Cl2N3O4
Molecular Weight392.28 g/mol
Exact Mass391.11
IUPAC Name2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride
SMILESCNCC1CCCN1C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C16H22ClN3O4.ClH/c1-19-8-11-4-3-5-20(11)16(22)10-6-12(17)15(13(7-10)23-2)24-9-14(18)21;/h6-7,11,19H,3-5,8-9H2,1-2H3,(H2,18,21);1H
InChIKeyJZVJKJOHPATHLX-UHFFFAOYSA-N
XLogP1.46
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-butoxy-3-chloro-5-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650048
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-methylpiperidine-3-carboxamide
CID 119128285
2-[2-chloro-6-methoxy-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)phenoxy]acetamide
CID 43045600
2-[2-chloro-4-(4,4-dimethylazepane-1-carbonyl)-6-methoxyphenoxy]acetamide
CID 119138060
(3-methoxy-4-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484301
2-[2-chloro-6-methoxy-4-(4-propoxyazepane-1-carbonyl)phenoxy]acetamide
CID 119125753
1-[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]-N-phenylpiperidine-3-carboxamide
CID 24637988
(3,5-dichloro-4-methoxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030156
2-[2-chloro-6-methoxy-4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 55494400
4-(2-amino-2-oxoethoxy)-N-[(1-butylpiperidin-2-yl)methyl]-3-chloro-5-methoxybenzamide
CID 47090811
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543951
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride (CID 119651087) is 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride is CNCC1CCCN1C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.Cl.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride?
The InChIKey is JZVJKJOHPATHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4.ClH/c1-19-8-11-4-3-5-20(11)16(22)10-6-12(17)15(13(7-10)23-2)24-9-14(18)21;/h6-7,11,19H,3-5,8-9H2,1-2H3,(H2,18,21);1H.
What are the key properties of 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride?
2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride has a molecular weight of 392.28 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 119651087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).