N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide

C12H15BrN2O2 — CID 81496464

IUPACN-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C12H15BrN2O2/c1-7-5-14-6-8(7)12(17)15-10-4-2-3-9(13)11(10)16/h2-4,7-8,14,16H,5-6H2,1H3,(H,15,17)
InChIKeyAKKBPQVFHZMLLP-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.95
Rot. Bonds2

About N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide

N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 81496464) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID81496464
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1cccc(Br)c1O
InChIInChI=1S/C12H15BrN2O2/c1-7-5-14-6-8(7)12(17)15-10-4-2-3-9(13)11(10)16/h2-4,7-8,14,16H,5-6H2,1H3,(H,15,17)
InChIKeyAKKBPQVFHZMLLP-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55231498
N-(4-bromo-2,3-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 107790239
4-methyl-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 63714277
N-(2-tert-butylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714112
(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
4-methyl-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55229769
N-(5-bromo-6-methyl-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 79049026
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
CID 81496913
4-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63714279
N-(4-bromo-2,6-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714914

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide (CID 81496464) is N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1cccc(Br)c1O.
What is the InChIKey of N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is AKKBPQVFHZMLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-7-5-14-6-8(7)12(17)15-10-4-2-3-9(13)11(10)16/h2-4,7-8,14,16H,5-6H2,1H3,(H,15,17).
What are the key properties of N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide?
N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 1.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-hydroxyphenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81496464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).