(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide

C26H29ClN2O3 — CID 67619747

IUPAC(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(NC(=O)[C@H]1CCCN1CC(=O)C1(c2ccc(Cl)cc2)CCCCC1)c1ccccc1
InChIInChI=1S/C26H29ClN2O3/c27-21-13-11-20(12-14-21)26(15-5-2-6-16-26)23(30)18-29-17-7-10-22(29)25(32)28-24(31)19-8-3-1-4-9-19/h1,3-4,8-9,11-14,22H,2,5-7,10,15-18H2,(H,28,31,32)/t22-/m1/s1
InChIKeyOJULASLBGNTVBP-JOCHJYFZSA-N
MW452.98 g/mol
LogP4.53
Rot. Bonds6

About (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide

(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide (PubChem CID 67619747) has the molecular formula C26H29ClN2O3 and a molecular weight of 452.98 g/mol. Its IUPAC name is (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide
PubChem CID67619747
Molecular FormulaC26H29ClN2O3
Molecular Weight452.98 g/mol
Exact Mass452.19
IUPAC Name(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide
SMILESO=C(NC(=O)[C@H]1CCCN1CC(=O)C1(c2ccc(Cl)cc2)CCCCC1)c1ccccc1
InChIInChI=1S/C26H29ClN2O3/c27-21-13-11-20(12-14-21)26(15-5-2-6-16-26)23(30)18-29-17-7-10-22(29)25(32)28-24(31)19-8-3-1-4-9-19/h1,3-4,8-9,11-14,22H,2,5-7,10,15-18H2,(H,28,31,32)/t22-/m1/s1
InChIKeyOJULASLBGNTVBP-JOCHJYFZSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.98
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-benzoyl-1-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67620122
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-phenylcyclopentyl)ethanone
CID 130330385
(2S)-N-benzoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 22878906
(2S)-N-benzoyl-1-[(4E,6E)-2,3-dioxoocta-4,6-dienyl]pyrrolidine-2-carboxamide
CID 22878875
(2R)-N-benzoyl-1-[2-oxo-2-(4-pentylcyclohexyl)ethyl]pyrrolidine-2-carboxamide
CID 67619742
(2S)-N-benzyl-1-[2-(1-methylcyclohexyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621172
(2S)-N-benzoyl-1-[2-oxo-2-(2,3,4-trimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 22878879
(2-morpholin-4-yl-1-phenylethyl) 2-[(2S)-2-(benzoylcarbamoyl)pyrrolidin-1-yl]acetate
CID 22878877
(2S)-N-(2-hydroxy-2,2-diphenylacetyl)-1-phenacylpyrrolidine-2-carboxamide
CID 139629640
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
lithium;4-[1-[[1-[(4-chlorophenyl)methyl]piperidine-2-carbonyl]amino]cyclopropyl]benzoic acid;hydride
CID 173496943

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide (CID 67619747) is (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide is O=C(NC(=O)[C@H]1CCCN1CC(=O)C1(c2ccc(Cl)cc2)CCCCC1)c1ccccc1.
What is the InChIKey of (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide?
The InChIKey is OJULASLBGNTVBP-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29ClN2O3/c27-21-13-11-20(12-14-21)26(15-5-2-6-16-26)23(30)18-29-17-7-10-22(29)25(32)28-24(31)19-8-3-1-4-9-19/h1,3-4,8-9,11-14,22H,2,5-7,10,15-18H2,(H,28,31,32)/t22-/m1/s1.
What are the key properties of (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide?
(2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide has a molecular weight of 452.98 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzoyl-1-[2-[1-(4-chlorophenyl)cyclohexyl]-2-oxoethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67619747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).