N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide

C12H14Cl2N2O — CID 63720795

IUPACN-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7-5-15-6-9(7)12(17)16-11-4-8(13)2-3-10(11)14/h2-4,7,9,15H,5-6H2,1H3,(H,16,17)
InChIKeyOZUMHWLLQZHTLQ-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.79
Rot. Bonds2

About N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide

N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 63720795) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID63720795
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7-5-15-6-9(7)12(17)16-11-4-8(13)2-3-10(11)14/h2-4,7,9,15H,5-6H2,1H3,(H,16,17)
InChIKeyOZUMHWLLQZHTLQ-UHFFFAOYSA-N
XLogP2.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide 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

4-chloro-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]benzoic acid
CID 98540711
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715613
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55228625
N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
2-[(2,5-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270465
2-(2,5-dichlorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572598
N-(4-bromo-2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 107790239
N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714914
1-N-(2,5-dichlorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130599
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714766
(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
1-N-(2,5-dichlorophenyl)-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140988

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide (CID 63720795) is N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is OZUMHWLLQZHTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7-5-15-6-9(7)12(17)16-11-4-8(13)2-3-10(11)14/h2-4,7,9,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63720795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).