N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide

C13H17ClN2O — CID 66256845

IUPACN-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)C1(C)CCNC1
InChIInChI=1S/C13H17ClN2O/c1-9-4-3-5-10(14)11(9)16-12(17)13(2)6-7-15-8-13/h3-5,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyYARMTGBKXOMMKQ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.59
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide

N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 66256845) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID66256845
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)C1(C)CCNC1
InChIInChI=1S/C13H17ClN2O/c1-9-4-3-5-10(14)11(9)16-12(17)13(2)6-7-15-8-13/h3-5,15H,6-8H2,1-2H3,(H,16,17)
InChIKeyYARMTGBKXOMMKQ-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63723107
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
1-amino-N-(2-chloro-6-methylphenyl)cyclobutane-1-carboxamide
CID 81169248
N-(2-chloro-6-methylphenyl)-1-phenylcyclopentane-1-carboxamide
CID 4060747
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664
N-(2,6-difluorophenyl)-4-methylpiperidine-4-carboxamide
CID 55177937
N-[2-chloro-6-(trifluoromethyl)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63138744
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide (CID 66256845) is N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide is Cc1cccc(Cl)c1NC(=O)C1(C)CCNC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is YARMTGBKXOMMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-3-5-10(14)11(9)16-12(17)13(2)6-7-15-8-13/h3-5,15H,6-8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 66256845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).