N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide

C15H22ClN3O — CID 63299906

IUPACN-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)cc1C)C1CCNC1
InChIInChI=1S/C15H22ClN3O/c1-3-19(13-6-7-17-9-13)10-15(20)18-14-5-4-12(16)8-11(14)2/h4-5,8,13,17H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyQYNJVFPOABRRHV-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.27
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63299906) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63299906
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Cl)cc1C)C1CCNC1
InChIInChI=1S/C15H22ClN3O/c1-3-19(13-6-7-17-9-13)10-15(20)18-14-5-4-12(16)8-11(14)2/h4-5,8,13,17H,3,6-7,9-10H2,1-2H3,(H,18,20)
InChIKeyQYNJVFPOABRRHV-UHFFFAOYSA-N
XLogP2.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
N-(2-chloro-3-pyridinyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300131
N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806799
2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
N-(2-ethyl-6-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299311
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
N-(4-bromo-2-fluorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638162
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807310
N-(4-bromo-2-methylphenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922743

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (CID 63299906) is N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is CCN(CC(=O)Nc1ccc(Cl)cc1C)C1CCNC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is QYNJVFPOABRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-19(13-6-7-17-9-13)10-15(20)18-14-5-4-12(16)8-11(14)2/h4-5,8,13,17H,3,6-7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63299906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).