N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide

C13H17BrN2O — CID 79382988

IUPACN-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCNC2C)ccc1Br
InChIInChI=1S/C13H17BrN2O/c1-8-7-10(3-4-12(8)14)16-13(17)11-5-6-15-9(11)2/h3-4,7,9,11,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyWIDXPQDTEADIMA-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.69
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide

N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide (PubChem CID 79382988) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
PubChem CID79382988
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CCNC2C)ccc1Br
InChIInChI=1S/C13H17BrN2O/c1-8-7-10(3-4-12(8)14)16-13(17)11-5-6-15-9(11)2/h3-4,7,9,11,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyWIDXPQDTEADIMA-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
2-methyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 79382752
cis-(1S,2R)-2-[(4-bromo-3-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320575
2-methyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79382754
N-(4-fluorophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382751
(2S,3S)-N-(3,4-difluorophenyl)-2-methylpyrrolidine-3-carboxamide;hydrochloride
CID 163269820
N-[4-(carbamoylamino)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388750
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
N-(5-bromo-6-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 114050445
2-methyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 79378348
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 79382496

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide (CID 79382988) is N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2CCNC2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide?
The InChIKey is WIDXPQDTEADIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-8-7-10(3-4-12(8)14)16-13(17)11-5-6-15-9(11)2/h3-4,7,9,11,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79382988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).