N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide

C15H19ClN2O2 — CID 108942007

IUPACN-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c16-13-5-3-4-12(10-13)6-7-17-14(19)11-15(20)18-8-1-2-9-18/h3-5,10H,1-2,6-9,11H2,(H,17,19)
InChIKeyIBBHXTOPGZSIKU-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide

N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 108942007) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID108942007
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCC1)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c16-13-5-3-4-12(10-13)6-7-17-14(19)11-15(20)18-8-1-2-9-18/h3-5,10H,1-2,6-9,11H2,(H,17,19)
InChIKeyIBBHXTOPGZSIKU-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013303
1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111357730
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872
N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342653
2-(3-chlorophenyl)ethylurea
CID 127513466
N-[2-(3-chlorophenyl)ethyl]-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102553
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941987

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide (CID 108942007) is N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide is O=C(CC(=O)N1CCCC1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is IBBHXTOPGZSIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-5-3-4-12(10-13)6-7-17-14(19)11-15(20)18-8-1-2-9-18/h3-5,10H,1-2,6-9,11H2,(H,17,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide?
N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 294.78 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108942007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).