N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide

C14H19BrN2O2 — CID 78963656

IUPACN-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C14H19BrN2O2/c1-16(8-11-4-2-3-5-13(11)15)14(19)10-17-7-6-12(18)9-17/h2-5,12,18H,6-10H2,1H3/t12-/m1/s1
InChIKeyRSQZNDKSIKTVHD-GFCCVEGCSA-N
MW327.22 g/mol
LogP1.47
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide (PubChem CID 78963656) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
PubChem CID78963656
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](O)C1
InChIInChI=1S/C14H19BrN2O2/c1-16(8-11-4-2-3-5-13(11)15)14(19)10-17-7-6-12(18)9-17/h2-5,12,18H,6-10H2,1H3/t12-/m1/s1
InChIKeyRSQZNDKSIKTVHD-GFCCVEGCSA-N
XLogP1.47
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
N-[(2-bromophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975216
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 120728275
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 114681183
N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8759157
N-benzyl-N-ethyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963793
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide (CID 78963656) is N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide is CN(Cc1ccccc1Br)C(=O)CN1CC[C@@H](O)C1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is RSQZNDKSIKTVHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-16(8-11-4-2-3-5-13(11)15)14(19)10-17-7-6-12(18)9-17/h2-5,12,18H,6-10H2,1H3/t12-/m1/s1.
What are the key properties of N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 327.22 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78963656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).