(2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide

C26H30ClN3O4 — CID 24717437

IUPAC(2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCC(NC(=O)[C@H]3CCCN3C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C26H30ClN3O4/c1-34-22-13-7-17(8-14-22)24(31)28-20-9-11-21(12-10-20)29-25(32)23-6-3-15-30(23)26(33)18-4-2-5-19(27)16-18/h2,4-5,7-8,13-14,16,20-21,23H,3,6,9-12,15H2,1H3,(H,28,31)(H,29,32)/t20?,21?,23-/m1/s1
InChIKeyDBLBFPDUSZWRTQ-YDPRHXJPSA-N
MW484.00 g/mol
LogP3.81
Rot. Bonds6

About (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide

(2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 24717437) has the molecular formula C26H30ClN3O4 and a molecular weight of 484.00 g/mol. Its IUPAC name is (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID24717437
Molecular FormulaC26H30ClN3O4
Molecular Weight484.00 g/mol
Exact Mass483.19
IUPAC Name(2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(C(=O)NC2CCC(NC(=O)[C@H]3CCCN3C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C26H30ClN3O4/c1-34-22-13-7-17(8-14-22)24(31)28-20-9-11-21(12-10-20)29-25(32)23-6-3-15-30(23)26(33)18-4-2-5-19(27)16-18/h2,4-5,7-8,13-14,16,20-21,23H,3,6,9-12,15H2,1H3,(H,28,31)(H,29,32)/t20?,21?,23-/m1/s1
InChIKeyDBLBFPDUSZWRTQ-YDPRHXJPSA-N
XLogP3.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-[3-(3-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 134800399
(2S)-1-dodecanoyl-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 51071427
N-(1-benzylpiperidin-4-yl)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 42696104
N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 56547066
(2S)-1-(3,5-dimethoxybenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 51071507
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477
1-[4-(3-chlorophenyl)-4-oxobutanoyl]-N-cyclohexylpyrrolidine-2-carboxamide
CID 110625694
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide (CID 24717437) is (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide is COc1ccc(C(=O)NC2CCC(NC(=O)[C@H]3CCCN3C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is DBLBFPDUSZWRTQ-YDPRHXJPSA-N. The full InChI is InChI=1S/C26H30ClN3O4/c1-34-22-13-7-17(8-14-22)24(31)28-20-9-11-21(12-10-20)29-25(32)23-6-3-15-30(23)26(33)18-4-2-5-19(27)16-18/h2,4-5,7-8,13-14,16,20-21,23H,3,6,9-12,15H2,1H3,(H,28,31)(H,29,32)/t20?,21?,23-/m1/s1.
What are the key properties of (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
(2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chlorobenzoyl)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24717437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).