N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride

C11H13BrClFN2O — CID 119673458

IUPACN-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cc1F)C1CCNC1
InChIInChI=1S/C11H12BrFN2O.ClH/c12-8-1-2-10(9(13)5-8)15-11(16)7-3-4-14-6-7;/h1-2,5,7,14H,3-4,6H2,(H,15,16);1H
InChIKeyMDPHWHNDOXDZNJ-UHFFFAOYSA-N
MW323.59 g/mol
LogP2.56
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride

N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119673458) has the molecular formula C11H13BrClFN2O and a molecular weight of 323.59 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119673458
Molecular FormulaC11H13BrClFN2O
Molecular Weight323.59 g/mol
Exact Mass321.99
IUPAC NameN-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cc1F)C1CCNC1
InChIInChI=1S/C11H12BrFN2O.ClH/c12-8-1-2-10(9(13)5-8)15-11(16)7-3-4-14-6-7;/h1-2,5,7,14H,3-4,6H2,(H,15,16);1H
InChIKeyMDPHWHNDOXDZNJ-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.59
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
3-fluoro-4-(pyrrolidine-3-carbonylamino)benzoic acid
CID 63188319
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
N-(4-bromo-2-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119673443
N-(2-fluoro-4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 119757906
N-(5-bromo-2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63006028
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119673458) is N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Br)cc1F)C1CCNC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is MDPHWHNDOXDZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O.ClH/c12-8-1-2-10(9(13)5-8)15-11(16)7-3-4-14-6-7;/h1-2,5,7,14H,3-4,6H2,(H,15,16);1H.
What are the key properties of N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride?
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 323.59 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119673458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).