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

C13H16Cl3N3O — CID 63298307

IUPAC2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C13H16Cl3N3O/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)
InChIKeyLADPQNKATMDHQB-UHFFFAOYSA-N
MW336.65 g/mol
LogP2.88
Rot. Bonds4

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

2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 63298307) has the molecular formula C13H16Cl3N3O and a molecular weight of 336.65 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID63298307
Molecular FormulaC13H16Cl3N3O
Molecular Weight336.65 g/mol
Exact Mass335.04
IUPAC Name2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCNC1
InChIInChI=1S/C13H16Cl3N3O/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)
InChIKeyLADPQNKATMDHQB-UHFFFAOYSA-N
XLogP2.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.65
LogP ≤ 52.88
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;hydrochloride
CID 119922827
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301508
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743
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
N-(4-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922897
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
N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63643377

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide (CID 63298307) is 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide is CN(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)C1CCNC1.
What is the InChIKey of 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is LADPQNKATMDHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3N3O/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).
What are the key properties of 2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide?
2-[methyl(pyrrolidin-3-yl)amino]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 336.65 g/mol, XLogP of 2.88, 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 is sourced from PubChem (CID 63298307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).