N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide

C14H17BrN2O3 — CID 97249806

IUPACN-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide
SMILESCC(=O)N1CC[C@H](NC(=O)COc2ccccc2Br)C1
InChIInChI=1S/C14H17BrN2O3/c1-10(18)17-7-6-11(8-17)16-14(19)9-20-13-5-3-2-4-12(13)15/h2-5,11H,6-9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeySHWSROFHOROYMR-NSHDSACASA-N
MW341.21 g/mol
LogP1.56
Rot. Bonds4

About N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide

N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide (PubChem CID 97249806) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide
PubChem CID97249806
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC NameN-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide
SMILESCC(=O)N1CC[C@H](NC(=O)COc2ccccc2Br)C1
InChIInChI=1S/C14H17BrN2O3/c1-10(18)17-7-6-11(8-17)16-14(19)9-20-13-5-3-2-4-12(13)15/h2-5,11H,6-9H2,1H3,(H,16,19)/t11-/m0/s1
InChIKeySHWSROFHOROYMR-NSHDSACASA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61461595
tert-butyl (3S)-3-[[2-(2-cyanophenoxy)acetyl]amino]pyrrolidine-1-carboxylate
CID 96510525
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819905
tert-butyl (3R)-3-[(2-phenoxyacetyl)amino]pyrrolidine-1-carboxylate
CID 96510561
N-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]acetamide
CID 97159907
N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 2687934
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
2-(2-bromophenoxy)-N-methylacetamide
CID 8024487
4-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562734
3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119559885

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide?
The IUPAC name of N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide (CID 97249806) is N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide.
What is the SMILES notation for N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide?
The canonical SMILES for N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide is CC(=O)N1CC[C@H](NC(=O)COc2ccccc2Br)C1.
What is the InChIKey of N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide?
The InChIKey is SHWSROFHOROYMR-NSHDSACASA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-10(18)17-7-6-11(8-17)16-14(19)9-20-13-5-3-2-4-12(13)15/h2-5,11H,6-9H2,1H3,(H,16,19)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide?
N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide has a molecular weight of 341.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-acetylpyrrolidin-3-yl]-2-(2-bromophenoxy)acetamide is sourced from PubChem (CID 97249806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).