(2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide

C15H20ClN3O3 — CID 122567929

IUPAC(2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(Cl)c1OCCNC(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C15H20ClN3O3/c1-10-4-2-5-11(16)13(10)22-9-7-18-15(21)19-8-3-6-12(19)14(17)20/h2,4-5,12H,3,6-9H2,1H3,(H2,17,20)(H,18,21)/t12-/m1/s1
InChIKeyIKFQRZWQNBRQJB-GFCCVEGCSA-N
MW325.80 g/mol
LogP1.69
Rot. Bonds5

About (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide

(2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 122567929) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide
PubChem CID122567929
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name(2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(Cl)c1OCCNC(=O)N1CCC[C@@H]1C(N)=O
InChIInChI=1S/C15H20ClN3O3/c1-10-4-2-5-11(16)13(10)22-9-7-18-15(21)19-8-3-6-12(19)14(17)20/h2,4-5,12H,3,6-9H2,1H3,(H2,17,20)(H,18,21)/t12-/m1/s1
InChIKeyIKFQRZWQNBRQJB-GFCCVEGCSA-N
XLogP1.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide (CID 122567929) is (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide is Cc1cccc(Cl)c1OCCNC(=O)N1CCC[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is IKFQRZWQNBRQJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-10-4-2-5-11(16)13(10)22-9-7-18-15(21)19-8-3-6-12(19)14(17)20/h2,4-5,12H,3,6-9H2,1H3,(H2,17,20)(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide?
(2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 325.80 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-[2-(2-chloro-6-methylphenoxy)ethyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 122567929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).