N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide

C14H19BrN2O2 — CID 79388230

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)C1CCNC1C
InChIInChI=1S/C14H19BrN2O2/c1-9-10(6-7-16-9)14(18)17-13-5-3-4-12(15)11(13)8-19-2/h3-5,9-10,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyHHFKGVLSJSQENH-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.53
Rot. Bonds4

About N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide

N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide (PubChem CID 79388230) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
PubChem CID79388230
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)C1CCNC1C
InChIInChI=1S/C14H19BrN2O2/c1-9-10(6-7-16-9)14(18)17-13-5-3-4-12(15)11(13)8-19-2/h3-5,9-10,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyHHFKGVLSJSQENH-UHFFFAOYSA-N
XLogP2.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-2-(methoxymethyl)phenyl]azepane-2-carboxamide
CID 64564041
N-(2,6-dibromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 107599756
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214081
N-(2,3-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382669
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
2-[2-[(2-methylpyrrolidine-3-carbonyl)amino]phenoxy]acetic acid
CID 79385111
2-fluoro-6-[(2-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 79389185
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
N-[3-bromo-2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 60616505
N-(4-bromophenyl)-2-methylpyrrolidine-3-carboxamide
CID 79382667
N-(2-chloro-3-pyridinyl)-2-methylpyrrolidine-3-carboxamide
CID 79388659
2-methyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-3-carboxamide
CID 79388584

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide (CID 79388230) is N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide is COCc1c(Br)cccc1NC(=O)C1CCNC1C.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
The InChIKey is HHFKGVLSJSQENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9-10(6-7-16-9)14(18)17-13-5-3-4-12(15)11(13)8-19-2/h3-5,9-10,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide?
N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-2-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79388230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).