(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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Related Compounds

(3S)-N-(1-acetylpiperidin-4-yl)-3-(4-chlorophenyl)piperidine-1-carboxamide
CID 126433474
3-(4-chlorophenyl)-N-cyclopentylazepane-1-carboxamide
CID 121146751
4-[[3-(oxan-4-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023608
2-(4-chlorophenyl)-N-cyclohexylmorpholine-4-carboxamide
CID 110327090
2-(4-chlorophenoxy)-1-[4-(oxolan-3-yl)piperidin-1-yl]ethanone
CID 136530092
N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]oxane-4-carboxamide
CID 166222335
(2R)-N-[(1R,3S)-3-carbamoylcyclopentyl]-2-(4-chlorophenyl)morpholine-4-carboxamide
CID 164630204
(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
CID 124744199
4-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 90772229
3,4-dimethyl-N-(oxolan-3-yl)piperidine-1-carboxamide
CID 115871728
(1S,6S)-9-methyl-N-(3-phenylcyclobutyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 129423882
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062

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).