N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide

C13H17ClN2O2 — CID 112970539

IUPACN-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCOc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C13H17ClN2O2/c14-11-5-1-2-6-12(11)18-10-7-15-13(17)16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,15,17)
InChIKeyTUWKEPGUQHBJOH-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide

N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide (PubChem CID 112970539) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
PubChem CID112970539
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCOc1ccccc1Cl)N1CCCC1
InChIInChI=1S/C13H17ClN2O2/c14-11-5-1-2-6-12(11)18-10-7-15-13(17)16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,15,17)
InChIKeyTUWKEPGUQHBJOH-UHFFFAOYSA-N
XLogP2.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.52
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

N-[2-(2-ethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112971635
4-benzhydryl-N-[3-(2-chlorophenoxy)propyl]piperazine-1-carboxamide
CID 108883363
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
CID 108883477
N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112971026
4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
CID 112971029
4-acetyl-N-[2-(2-ethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112971649
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976841
4-benzyl-N-[2-(2-methylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 55931486
N-[2-(2,6-dimethylphenoxy)ethyl]azepane-1-carboxamide
CID 112973327
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112977019
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 112976964

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide (CID 112970539) is N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide is O=C(NCCOc1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is TUWKEPGUQHBJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-5-1-2-6-12(11)18-10-7-15-13(17)16-8-3-4-9-16/h1-2,5-6H,3-4,7-10H2,(H,15,17).
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide?
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 112970539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).