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

C12H14Cl2N2O — CID 55231498

IUPACN-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7-5-15-6-8(7)12(17)16-10-4-2-3-9(13)11(10)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)
InChIKeyOQWAZGQCCXMCBB-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.79
Rot. Bonds2

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

N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 55231498) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID55231498
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7-5-15-6-8(7)12(17)16-10-4-2-3-9(13)11(10)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17)
InChIKeyOQWAZGQCCXMCBB-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

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 107790239
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide
CID 81496464
4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 63714277
N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714112
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55228625
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-methylpyrrolidine-3-carboxamide
CID 63715613
4-chloro-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]benzoic acid
CID 98540711
N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714914

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide (CID 55231498) is N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is OQWAZGQCCXMCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7-5-15-6-8(7)12(17)16-10-4-2-3-9(13)11(10)14/h2-4,7-8,15H,5-6H2,1H3,(H,16,17).
What are the key properties of N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide?
N-(2,3-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-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55231498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).