N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

C13H17BrN2O2 — CID 43699119

IUPACN-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CC(O)CN1)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-8(9-3-2-4-10(14)5-9)16-13(18)12-6-11(17)7-15-12/h2-5,8,11-12,15,17H,6-7H2,1H3,(H,16,18)
InChIKeyXNDBZLWRKFOBKB-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.35
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide

N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43699119) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43699119
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CC(O)CN1)c1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-8(9-3-2-4-10(14)5-9)16-13(18)12-6-11(17)7-15-12/h2-5,8,11-12,15,17H,6-7H2,1H3,(H,16,18)
InChIKeyXNDBZLWRKFOBKB-UHFFFAOYSA-N
XLogP1.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138536
N-[1-(3,4-difluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702101
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
(2S)-N-[1-(3-bromophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119285496
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
N-[1-(4-ethylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702940
2-[1-(3-bromophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54868050
4-hydroxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 43699561
N-[1-(4-ethynylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170438638
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 43699119) is N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is CC(NC(=O)C1CC(O)CN1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is XNDBZLWRKFOBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8(9-3-2-4-10(14)5-9)16-13(18)12-6-11(17)7-15-12/h2-5,8,11-12,15,17H,6-7H2,1H3,(H,16,18).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43699119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).