N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide

C14H20ClN3O — CID 54882932

IUPACN-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
SMILESCCC1CCCN1CC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O/c1-2-11-4-3-7-18(11)9-14(19)17-13-8-10(15)5-6-12(13)16/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19)
InChIKeyPJFABDUUQWQCIN-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.74
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide

N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide (PubChem CID 54882932) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
PubChem CID54882932
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
SMILESCCC1CCCN1CC(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O/c1-2-11-4-3-7-18(11)9-14(19)17-13-8-10(15)5-6-12(13)16/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19)
InChIKeyPJFABDUUQWQCIN-UHFFFAOYSA-N
XLogP2.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide
CID 54882930
N-(5-chloro-2-methylphenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62734054
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882013
N-(2-amino-5-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103505319
N-(2-amino-5-chlorophenyl)-2-pyrrolidin-1-ylacetamide
CID 16778999
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43001142
N-(2-amino-5-chlorophenyl)-2-piperidin-1-ylacetamide
CID 16793337
N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide
CID 43266191
N-(4-amino-2-methylphenyl)-2-(2-ethylazepan-1-yl)acetamide
CID 104689012
N-(2-amino-5-chlorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]acetamide
CID 106586022
N-(2,5-dichlorophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637787
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide (CID 54882932) is N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide is CCC1CCCN1CC(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide?
The InChIKey is PJFABDUUQWQCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-2-11-4-3-7-18(11)9-14(19)17-13-8-10(15)5-6-12(13)16/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide?
N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide has a molecular weight of 281.79 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 54882932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).