(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide

C15H21ClN2O3 — CID 124683819

IUPAC(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCNC1
InChIInChI=1S/C15H21ClN2O3/c1-2-20-7-8-21-14-4-3-12(16)9-13(14)18-15(19)11-5-6-17-10-11/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyHOZIQTKDWJXTRJ-LLVKDONJSA-N
MW312.80 g/mol
LogP2.30
Rot. Bonds7

About (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide

(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide (PubChem CID 124683819) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
PubChem CID124683819
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
SMILESCCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCNC1
InChIInChI=1S/C15H21ClN2O3/c1-2-20-7-8-21-14-4-3-12(16)9-13(14)18-15(19)11-5-6-17-10-11/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyHOZIQTKDWJXTRJ-LLVKDONJSA-N
XLogP2.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119747231
3-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119773171
N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119776589
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
(2S)-2-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide
CID 119317513
N-(5-chloro-2-propoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119725674
2-(4-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119773164
N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
CID 119797775
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938692
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide (CID 124683819) is (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide is CCOCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is HOZIQTKDWJXTRJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-20-7-8-21-14-4-3-12(16)9-13(14)18-15(19)11-5-6-17-10-11/h3-4,9,11,17H,2,5-8,10H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide?
(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124683819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).