N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

C14H19BrN2O3 — CID 119316734

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(Br)c(CNC(=O)C2CCCN2)cc1OC
InChIInChI=1S/C14H19BrN2O3/c1-19-12-6-9(10(15)7-13(12)20-2)8-17-14(18)11-4-3-5-16-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyURMCRIDEIMTYCH-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.83
Rot. Bonds5

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 119316734) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID119316734
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(Br)c(CNC(=O)C2CCCN2)cc1OC
InChIInChI=1S/C14H19BrN2O3/c1-19-12-6-9(10(15)7-13(12)20-2)8-17-14(18)11-4-3-5-16-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyURMCRIDEIMTYCH-UHFFFAOYSA-N
XLogP1.83
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
(2S,4S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120630600
(2R)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808409
N-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296053
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
N-[(2,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119279585
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119324271
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 119316734) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide is COc1cc(Br)c(CNC(=O)C2CCCN2)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is URMCRIDEIMTYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-19-12-6-9(10(15)7-13(12)20-2)8-17-14(18)11-4-3-5-16-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119316734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).