N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide

C13H17ClN2O2 — CID 63005433

IUPACN-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C1CCNC1
InChIInChI=1S/C13H17ClN2O2/c1-2-18-12-4-3-10(14)7-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyGTORHFCSEXMEBY-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.29
Rot. Bonds4

About N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide

N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 63005433) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID63005433
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccc(Cl)cc1NC(=O)C1CCNC1
InChIInChI=1S/C13H17ClN2O2/c1-2-18-12-4-3-10(14)7-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,16,17)
InChIKeyGTORHFCSEXMEBY-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)piperidine-4-carboxamide
CID 54862625
(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
CID 124683819
N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide
CID 119797775
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119683535
N-(5-chloro-2-ethylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119776589
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862651
N-[5-(dimethylcarbamoyl)-2-ethoxyphenyl]piperidine-3-carboxamide;hydrochloride
CID 119342431
(3S)-N-[2-[(3-chlorophenyl)methoxy]phenyl]pyrrolidine-3-carboxamide
CID 124594929
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide (CID 63005433) is N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide is CCOc1ccc(Cl)cc1NC(=O)C1CCNC1.
What is the InChIKey of N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is GTORHFCSEXMEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-2-18-12-4-3-10(14)7-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide?
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).