N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide

C16H22Cl2N2O — CID 11515426

IUPACN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C16H22Cl2N2O/c1-2-3-4-16(21)20(14-7-8-19-10-14)11-12-5-6-13(17)9-15(12)18/h5-6,9,14,19H,2-4,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyRUCURZAOXQKURR-AWEZNQCLSA-N
MW329.27 g/mol
LogP3.87
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide

N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide (PubChem CID 11515426) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide
PubChem CID11515426
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1
InChIInChI=1S/C16H22Cl2N2O/c1-2-3-4-16(21)20(14-7-8-19-10-14)11-12-5-6-13(17)9-15(12)18/h5-6,9,14,19H,2-4,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyRUCURZAOXQKURR-AWEZNQCLSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide (CID 11515426) is N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide is CCCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide?
The InChIKey is RUCURZAOXQKURR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-2-3-4-16(21)20(14-7-8-19-10-14)11-12-5-6-13(17)9-15(12)18/h5-6,9,14,19H,2-4,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide?
N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide has a molecular weight of 329.27 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 11515426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).