2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride

C13H17Cl4N3O — CID 119922827

IUPAC2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCNC1.Cl
InChIInChI=1S/C13H16Cl3N3O.ClH/c1-19(8-2-3-17-6-8)7-13(20)18-12-5-10(15)9(14)4-11(12)16;/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,20);1H
InChIKeyNPDOUQLCLAGDJT-UHFFFAOYSA-N
MW373.11 g/mol
LogP3.30
Rot. Bonds4

About 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride

2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride (PubChem CID 119922827) has the molecular formula C13H17Cl4N3O and a molecular weight of 373.11 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
PubChem CID119922827
Molecular FormulaC13H17Cl4N3O
Molecular Weight373.11 g/mol
Exact Mass371.01
IUPAC Name2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCNC1.Cl
InChIInChI=1S/C13H16Cl3N3O.ClH/c1-19(8-2-3-17-6-8)7-13(20)18-12-5-10(15)9(14)4-11(12)16;/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,20);1H
InChIKeyNPDOUQLCLAGDJT-UHFFFAOYSA-N
XLogP3.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.11
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 63298307
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301508
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
2-[methyl(pyrrolidin-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 63297765
N-(2-ethoxyphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63298223
2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119922868
N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 55170845
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride (CID 119922827) is 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride is CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCNC1.Cl.
What is the InChIKey of 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride?
The InChIKey is NPDOUQLCLAGDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N3O.ClH/c1-19(8-2-3-17-6-8)7-13(20)18-12-5-10(15)9(14)4-11(12)16;/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,20);1H.
What are the key properties of 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride?
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride has a molecular weight of 373.11 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119922827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).