N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide

C14H19BrN2O — CID 119309190

IUPACN-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(Br)cc(C)c1CNC(=O)C1CCCN1
InChIInChI=1S/C14H19BrN2O/c1-9-6-11(15)7-10(2)12(9)8-17-14(18)13-4-3-5-16-13/h6-7,13,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyRIIOGWLSRRYEJB-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.43
Rot. Bonds3

About N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide

N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 119309190) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID119309190
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(Br)cc(C)c1CNC(=O)C1CCCN1
InChIInChI=1S/C14H19BrN2O/c1-9-6-11(15)7-10(2)12(9)8-17-14(18)13-4-3-5-16-13/h6-7,13,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyRIIOGWLSRRYEJB-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83626481
(2S)-N-[[2,4,6-triethyl-3,5-bis[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 50906055
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
(2S)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]piperidine-2-carboxamide
CID 103812920
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119316734
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
(2S)-N-[(4,5-dimethylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 103812203
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide (CID 119309190) is N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1cc(Br)cc(C)c1CNC(=O)C1CCCN1.
What is the InChIKey of N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RIIOGWLSRRYEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-6-11(15)7-10(2)12(9)8-17-14(18)13-4-3-5-16-13/h6-7,13,16H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide?
N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2,6-dimethylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119309190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).