N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide

C14H20ClN3O — CID 60660334

IUPACN-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESO=C(CNCCN1CCCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-12-5-1-2-6-13(12)17-14(19)11-16-7-10-18-8-3-4-9-18/h1-2,5-6,16H,3-4,7-11H2,(H,17,19)
InChIKeyRZTUYJHCZQZRAO-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.96
Rot. Bonds6

About N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide

N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (PubChem CID 60660334) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
PubChem CID60660334
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESO=C(CNCCN1CCCC1)Nc1ccccc1Cl
InChIInChI=1S/C14H20ClN3O/c15-12-5-1-2-6-13(12)17-14(19)11-16-7-10-18-8-3-4-9-18/h1-2,5-6,16H,3-4,7-11H2,(H,17,19)
InChIKeyRZTUYJHCZQZRAO-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylamino)acetamide
CID 44753817
N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid
CID 175652876
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (CID 60660334) is N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is O=C(CNCCN1CCCC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The InChIKey is RZTUYJHCZQZRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-5-1-2-6-13(12)17-14(19)11-16-7-10-18-8-3-4-9-18/h1-2,5-6,16H,3-4,7-11H2,(H,17,19).
What are the key properties of N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is sourced from PubChem (CID 60660334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).