(2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H19BrN2O3 — CID 47480631

IUPAC(2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C14H19BrN2O3/c1-9-6-10(15)7-12(20-2)13(9)16-14(19)17-5-3-4-11(17)8-18/h6-7,11,18H,3-5,8H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyPVATVJPUKLQGMZ-LLVKDONJSA-N
MW343.22 g/mol
LogP2.75
Rot. Bonds3

About (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 47480631) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID47480631
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name(2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1CO
InChIInChI=1S/C14H19BrN2O3/c1-9-6-10(15)7-12(20-2)13(9)16-14(19)17-5-3-4-11(17)8-18/h6-7,11,18H,3-5,8H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyPVATVJPUKLQGMZ-LLVKDONJSA-N
XLogP2.75
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-2-methoxy-6-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122077474
(2S)-N-(3,5-dichloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111116955
N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110892772
dimethyl 5-[[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]benzene-1,3-dicarboxylate
CID 72911500
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
(3,5-dimethoxy-4-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61411271
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669
(2R)-N-(5-tert-butyl-2-methoxyphenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 97283598
(2S)-N-(5-bromo-2-methoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 97313947
(3,5-dibromophenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 103909408
N-(5-bromo-2-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 124568699
(2S)-2-(hydroxymethyl)-N-[3-(3-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 72849322

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 47480631) is (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is PVATVJPUKLQGMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9-6-10(15)7-12(20-2)13(9)16-14(19)17-5-3-4-11(17)8-18/h6-7,11,18H,3-5,8H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromo-2-methoxy-6-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47480631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).