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

C15H20Cl2N2O — CID 11659664

IUPACN-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
InChIKeyRCMVHXAYSDWNBI-LBPRGKRZSA-N
MW315.24 g/mol
LogP3.34
Rot. Bonds4

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

N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11659664) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11659664
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1
InChIKeyRCMVHXAYSDWNBI-LBPRGKRZSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide 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-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11659664) is N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1cccc(Cl)c1Cl)[C@H]1CCNC1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is RCMVHXAYSDWNBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(2)15(20)19(12-6-7-18-8-12)9-11-4-3-5-13(16)14(11)17/h3-5,10,12,18H,6-9H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 315.24 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11659664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).