N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide

C13H17ClN2O — CID 63140585

IUPACN-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCNC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyWEQCIACUOSVWAJ-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.59
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide

N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 63140585) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID63140585
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)CCNC2)cc1Cl
InChIInChI=1S/C13H17ClN2O/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyWEQCIACUOSVWAJ-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

N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-(4-acetamido-3-chlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119700277
N-(3-bromo-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119704619
N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylpyrrolidine-3-carboxamide
CID 63140289
N-(4-fluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707219
2-hydroxy-4-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63141374
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 79240444
N-(2-chloro-6-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 66256845
N-(4-tert-butylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165707

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide (CID 63140585) is N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide is Cc1ccc(NC(=O)C2(C)CCNC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is WEQCIACUOSVWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-3-4-10(7-11(9)14)16-12(17)13(2)5-6-15-8-13/h3-4,7,15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide?
N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).