N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide

C12H15BrN2O2 — CID 63006028

IUPACN-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCNC1
InChIInChI=1S/C12H15BrN2O2/c1-17-11-3-2-9(13)6-10(11)15-12(16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyMFLBETHHFSHFNU-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.01
Rot. Bonds3

About N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide

N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 63006028) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID63006028
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(Br)cc1NC(=O)C1CCNC1
InChIInChI=1S/C12H15BrN2O2/c1-17-11-3-2-9(13)6-10(11)15-12(16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,16)
InChIKeyMFLBETHHFSHFNU-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921
N-(5-bromo-2-methoxyphenyl)piperidine-4-carboxamide
CID 54967697
N-(5-bromo-2-methoxyphenyl)cyclooctanecarboxamide
CID 65018183
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
N-(5-bromo-2-methoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119729353
N-(2,3,4-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119761624
N-(5-bromo-2-methoxyphenyl)oxolane-3-carboxamide
CID 47494478
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-(5-bromo-2-ethoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119300666
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide (CID 63006028) is N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide is COc1ccc(Br)cc1NC(=O)C1CCNC1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is MFLBETHHFSHFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-17-11-3-2-9(13)6-10(11)15-12(16)8-4-5-14-7-8/h2-3,6,8,14H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide?
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 299.17 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63006028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).