N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide

C11H13BrN2O2 — CID 43120817

IUPACN-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC(O)CN1
InChIInChI=1S/C11H13BrN2O2/c12-7-2-1-3-8(4-7)14-11(16)10-5-9(15)6-13-10/h1-4,9-10,13,15H,5-6H2,(H,14,16)
InChIKeyJSFGBMGPNDQZAD-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.11
Rot. Bonds2

About N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide

N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 43120817) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID43120817
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC NameN-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Br)c1)C1CC(O)CN1
InChIInChI=1S/C11H13BrN2O2/c12-7-2-1-3-8(4-7)14-11(16)10-5-9(15)6-13-10/h1-4,9-10,13,15H,5-6H2,(H,14,16)
InChIKeyJSFGBMGPNDQZAD-UHFFFAOYSA-N
XLogP1.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
2-bromo-5-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 115296411
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119770525
N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119712065
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
N-[1-(3-bromophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43699119
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide (CID 43120817) is N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide is O=C(Nc1cccc(Br)c1)C1CC(O)CN1.
What is the InChIKey of N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is JSFGBMGPNDQZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c12-7-2-1-3-8(4-7)14-11(16)10-5-9(15)6-13-10/h1-4,9-10,13,15H,5-6H2,(H,14,16).
What are the key properties of N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide?
N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 43120817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).