(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide

C13H17BrN2O — CID 107574285

IUPAC(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN2)cc(C)c1Br
InChIInChI=1S/C13H17BrN2O/c1-8-6-10(7-9(2)12(8)14)16-13(17)11-4-3-5-15-11/h6-7,11,15H,3-5H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyIODIEXNFWJJSOU-LLVKDONJSA-N
MW297.20 g/mol
LogP2.76
Rot. Bonds2

About (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 107574285) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID107574285
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CCCN2)cc(C)c1Br
InChIInChI=1S/C13H17BrN2O/c1-8-6-10(7-9(2)12(8)14)16-13(17)11-4-3-5-15-11/h6-7,11,15H,3-5H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyIODIEXNFWJJSOU-LLVKDONJSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240
N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 107574265
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
N-(3-iodo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 43233890
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide (CID 107574285) is (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)[C@H]2CCCN2)cc(C)c1Br.
What is the InChIKey of (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is IODIEXNFWJJSOU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-8-6-10(7-9(2)12(8)14)16-13(17)11-4-3-5-15-11/h6-7,11,15H,3-5H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 107574285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).