N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

C12H15BrN2O3 — CID 106673025

IUPACN-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESO=C(CN1CC(O)C(O)C1)Nc1ccccc1Br
InChIInChI=1S/C12H15BrN2O3/c13-8-3-1-2-4-9(8)14-12(18)7-15-5-10(16)11(17)6-15/h1-4,10-11,16-17H,5-7H2,(H,14,18)
InChIKeyLTOKTXOCTCMKTB-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.43
Rot. Bonds3

About N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide

N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (PubChem CID 106673025) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
PubChem CID106673025
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
SMILESO=C(CN1CC(O)C(O)C1)Nc1ccccc1Br
InChIInChI=1S/C12H15BrN2O3/c13-8-3-1-2-4-9(8)14-12(18)7-15-5-10(16)11(17)6-15/h1-4,10-11,16-17H,5-7H2,(H,14,18)
InChIKeyLTOKTXOCTCMKTB-UHFFFAOYSA-N
XLogP0.43
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-bromophenyl)acetamide;hydrochloride
CID 120760737
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
N-(2-bromophenyl)-2-(4-hydroxy-1,2-oxazolidin-2-yl)acetamide
CID 112737177
N-(2-bromophenyl)-2-(4-hydroxyiminopiperidin-1-yl)acetamide
CID 24705814
2-[2-(aminomethyl)morpholin-4-yl]-N-(2-bromophenyl)acetamide
CID 114394940
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(3-chloro-2-methylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79419846
N-(2-bromophenyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305227
2-[4-[2-(2-bromoanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 55735509
N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide
CID 95785992
ethyl (3R)-1-[2-(2-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533058

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide (CID 106673025) is N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is O=C(CN1CC(O)C(O)C1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
The InChIKey is LTOKTXOCTCMKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-8-3-1-2-4-9(8)14-12(18)7-15-5-10(16)11(17)6-15/h1-4,10-11,16-17H,5-7H2,(H,14,18).
What are the key properties of N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide?
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide has a molecular weight of 315.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide is sourced from PubChem (CID 106673025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).