(3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide

C19H25ClN2O2 — CID 124739967

IUPAC(3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CC(c2ccc(Cl)cc2)C1)N1CC[C@H]([C@H]2CCOC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-17-3-1-13(2-4-17)16-9-18(10-16)21-19(23)22-7-5-14(11-22)15-6-8-24-12-15/h1-4,14-16,18H,5-12H2,(H,21,23)/t14-,15-,16?,18?/m0/s1
InChIKeyUESHVMHUPFIZFH-WMTDPASSSA-N
MW348.87 g/mol
LogP3.65
Rot. Bonds3

About (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide

(3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide (PubChem CID 124739967) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
PubChem CID124739967
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name(3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CC(c2ccc(Cl)cc2)C1)N1CC[C@H]([C@H]2CCOC2)C1
InChIInChI=1S/C19H25ClN2O2/c20-17-3-1-13(2-4-17)16-9-18(10-16)21-19(23)22-7-5-14(11-22)15-6-8-24-12-15/h1-4,14-16,18H,5-12H2,(H,21,23)/t14-,15-,16?,18?/m0/s1
InChIKeyUESHVMHUPFIZFH-WMTDPASSSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide (CID 124739967) is (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide is O=C(NC1CC(c2ccc(Cl)cc2)C1)N1CC[C@H]([C@H]2CCOC2)C1.
What is the InChIKey of (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is UESHVMHUPFIZFH-WMTDPASSSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-17-3-1-13(2-4-17)16-9-18(10-16)21-19(23)22-7-5-14(11-22)15-6-8-24-12-15/h1-4,14-16,18H,5-12H2,(H,21,23)/t14-,15-,16?,18?/m0/s1.
What are the key properties of (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide?
(3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(4-chlorophenyl)cyclobutyl]-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 124739967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).