2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone

C14H19ClN2O — CID 60672436

IUPAC2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C14H19ClN2O/c15-13-5-3-12(4-6-13)7-8-16-11-14(18)17-9-1-2-10-17/h3-6,16H,1-2,7-11H2
InChIKeyCPYROMHVGTYPHL-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone

2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 60672436) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
PubChem CID60672436
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCCc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C14H19ClN2O/c15-13-5-3-12(4-6-13)7-8-16-11-14(18)17-9-1-2-10-17/h3-6,16H,1-2,7-11H2
InChIKeyCPYROMHVGTYPHL-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013807
2-[2-(4-chlorophenyl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002113
1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
2-[2-(4-chlorophenyl)ethylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109002819
2-[2-(4-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109002818
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
3-[2-(4-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109028026
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111197240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone (CID 60672436) is 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone is O=C(CNCCc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is CPYROMHVGTYPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-13-5-3-12(4-6-13)7-8-16-11-14(18)17-9-1-2-10-17/h3-6,16H,1-2,7-11H2.
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone?
2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 266.77 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 60672436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).