[(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate

C17H23ClN2O3 — CID 174927855

IUPAC[(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate
SMILESCCCCCC(=O)O[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H23ClN2O3/c1-2-3-4-5-16(21)23-15-10-11-20(12-15)17(22)19-14-8-6-13(18)7-9-14/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyBIIOWOYHMQDNGD-HNNXBMFYSA-N
MW338.83 g/mol
LogP4.07
Rot. Bonds6

About [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate

[(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate (PubChem CID 174927855) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.83 g/mol. Its IUPAC name is [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate.

Molecular Properties

Compound Name[(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate
PubChem CID174927855
Molecular FormulaC17H23ClN2O3
Molecular Weight338.83 g/mol
Exact Mass338.14
IUPAC Name[(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate
SMILESCCCCCC(=O)O[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H23ClN2O3/c1-2-3-4-5-16(21)23-15-10-11-20(12-15)17(22)19-14-8-6-13(18)7-9-14/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyBIIOWOYHMQDNGD-HNNXBMFYSA-N
XLogP4.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzoylpyrrolidin-3-yl) octanoate
CID 54214198
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
N-(4-chlorophenyl)tridecanamide
CID 4195215
3-[(4-decylphenyl)carbamoyloxy]pyrrolidine-1-carboxylic acid
CID 174193096
N-(4-chlorophenyl)-4-(4-methoxypiperidin-1-yl)piperidine-1-carboxamide
CID 90616556
N-[4-(4-chlorophenoxy)phenyl]-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 72916566
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
N-(4-chlorophenyl)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639766

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate?
The IUPAC name of [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate (CID 174927855) is [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate.
What is the SMILES notation for [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate?
The canonical SMILES for [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate is CCCCCC(=O)O[C@H]1CCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate?
The InChIKey is BIIOWOYHMQDNGD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-2-3-4-5-16(21)23-15-10-11-20(12-15)17(22)19-14-8-6-13(18)7-9-14/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate?
[(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate has a molecular weight of 338.83 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(4-chlorophenyl)carbamoyl]pyrrolidin-3-yl] hexanoate is sourced from PubChem (CID 174927855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).