N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide

C14H19BrN2O3 — CID 61214081

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C14H19BrN2O3/c1-19-8-10-11(15)4-3-5-12(10)17-14(18)13-6-9(20-2)7-16-13/h3-5,9,13,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyGRDRQNYTJAFJHV-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.91
Rot. Bonds5

About N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide

N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 61214081) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID61214081
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCOCc1c(Br)cccc1NC(=O)C1CC(OC)CN1
InChIInChI=1S/C14H19BrN2O3/c1-19-8-10-11(15)4-3-5-12(10)17-14(18)13-6-9(20-2)7-16-13/h3-5,9,13,16H,6-8H2,1-2H3,(H,17,18)
InChIKeyGRDRQNYTJAFJHV-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide (CID 61214081) is N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide is COCc1c(Br)cccc1NC(=O)C1CC(OC)CN1.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is GRDRQNYTJAFJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-19-8-10-11(15)4-3-5-12(10)17-14(18)13-6-9(20-2)7-16-13/h3-5,9,13,16H,6-8H2,1-2H3,(H,17,18).
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide?
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 61214081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).