(2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide

C25H33Cl2N3O3 — CID 53361866

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
SMILESO=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H33Cl2N3O3/c26-19-13-12-17(15-20(19)27)23(31)29-22(16-7-2-1-3-8-16)25(33)30-14-6-11-21(30)24(32)28-18-9-4-5-10-18/h12-13,15-16,18,21-22H,1-11,14H2,(H,28,32)(H,29,31)/t21-,22-/m0/s1
InChIKeyFCEVXVUMONOWKM-VXKWHMMOSA-N
MW494.46 g/mol
LogP4.72
Rot. Bonds6

About (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide (PubChem CID 53361866) has the molecular formula C25H33Cl2N3O3 and a molecular weight of 494.46 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
PubChem CID53361866
Molecular FormulaC25H33Cl2N3O3
Molecular Weight494.46 g/mol
Exact Mass493.19
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
SMILESO=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H33Cl2N3O3/c26-19-13-12-17(15-20(19)27)23(31)29-22(16-7-2-1-3-8-16)25(33)30-14-6-11-21(30)24(32)28-18-9-4-5-10-18/h12-13,15-16,18,21-22H,1-11,14H2,(H,28,32)(H,29,31)/t21-,22-/m0/s1
InChIKeyFCEVXVUMONOWKM-VXKWHMMOSA-N
XLogP4.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 53361924
(2S)-1-[(2S)-2-cyclohexyl-2-(thiophene-2-carbonylamino)acetyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 53361855
(2S)-N-cyclopentyl-1-[(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53361796
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255
N-cyclopropyl-1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 60733404
1-(3,4-dichlorobenzoyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 167790919
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112833762
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
2-[(3-amino-4-chlorobenzoyl)amino]-2-cyclohexylacetic acid
CID 61159785
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide (CID 53361866) is (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide is O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The InChIKey is FCEVXVUMONOWKM-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H33Cl2N3O3/c26-19-13-12-17(15-20(19)27)23(31)29-22(16-7-2-1-3-8-16)25(33)30-14-6-11-21(30)24(32)28-18-9-4-5-10-18/h12-13,15-16,18,21-22H,1-11,14H2,(H,28,32)(H,29,31)/t21-,22-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide has a molecular weight of 494.46 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-cyclohexyl-2-[(3,4-dichlorobenzoyl)amino]acetyl]-N-cyclopentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 53361866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).