N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

C15H23Cl2N3O — CID 119928402

IUPACN-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN1CC(=O)Nc1cccc(Cl)c1C.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-11-13(16)6-3-7-14(11)18-15(20)10-19-8-4-5-12(19)9-17-2;/h3,6-7,12,17H,4-5,8-10H2,1-2H3,(H,18,20);1H
InChIKeyLMPRMROCGIQFHF-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.69
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride

N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (PubChem CID 119928402) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
PubChem CID119928402
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
SMILESCNCC1CCCN1CC(=O)Nc1cccc(Cl)c1C.Cl
InChIInChI=1S/C15H22ClN3O.ClH/c1-11-13(16)6-3-7-14(11)18-15(20)10-19-8-4-5-12(19)9-17-2;/h3,6-7,12,17H,4-5,8-10H2,1-2H3,(H,18,20);1H
InChIKeyLMPRMROCGIQFHF-UHFFFAOYSA-N
XLogP2.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490252
N-(2,3-dimethylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250351
N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914494
N-(2-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928409
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928583
N-(2-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 81490988
N-(2-methoxyphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928580
N-(4-chlorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928500
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
1-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908495
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 102681522
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride (CID 119928402) is N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is CNCC1CCCN1CC(=O)Nc1cccc(Cl)c1C.Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
The InChIKey is LMPRMROCGIQFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.ClH/c1-11-13(16)6-3-7-14(11)18-15(20)10-19-8-4-5-12(19)9-17-2;/h3,6-7,12,17H,4-5,8-10H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride?
N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride has a molecular weight of 332.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119928402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).