N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide

C14H20ClN3O — CID 55023239

IUPACN-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESO=C(CNCCN1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c15-12-4-3-5-13(10-12)17-14(19)11-16-6-9-18-7-1-2-8-18/h3-5,10,16H,1-2,6-9,11H2,(H,17,19)
InChIKeyMNPWKNPSGQNUHS-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.96
Rot. Bonds6

About N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide

N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (PubChem CID 55023239) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
PubChem CID55023239
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC NameN-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESO=C(CNCCN1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c15-12-4-3-5-13(10-12)17-14(19)11-16-6-9-18-7-1-2-8-18/h3-5,10,16H,1-2,6-9,11H2,(H,17,19)
InChIKeyMNPWKNPSGQNUHS-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-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385
N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60673794
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660272
N-(3-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340911
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (CID 55023239) is N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is O=C(CNCCN1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The InChIKey is MNPWKNPSGQNUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-12-4-3-5-13(10-12)17-14(19)11-16-6-9-18-7-1-2-8-18/h3-5,10,16H,1-2,6-9,11H2,(H,17,19).
What are the key properties of N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
N-(3-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-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is sourced from PubChem (CID 55023239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).