N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide

C11H10BrF3N2O — CID 171854841

IUPACN-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)N1CCC(F)(F)C1
InChIInChI=1S/C11H10BrF3N2O/c12-8-2-1-7(5-9(8)13)16-10(18)17-4-3-11(14,15)6-17/h1-2,5H,3-4,6H2,(H,16,18)
InChIKeyNGFDWBVMQOJVRX-UHFFFAOYSA-N
MW323.11 g/mol
LogP3.46
Rot. Bonds1

About N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide

N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 171854841) has the molecular formula C11H10BrF3N2O and a molecular weight of 323.11 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID171854841
Molecular FormulaC11H10BrF3N2O
Molecular Weight323.11 g/mol
Exact Mass321.99
IUPAC NameN-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)N1CCC(F)(F)C1
InChIInChI=1S/C11H10BrF3N2O/c12-8-2-1-7(5-9(8)13)16-10(18)17-4-3-11(14,15)6-17/h1-2,5H,3-4,6H2,(H,16,18)
InChIKeyNGFDWBVMQOJVRX-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-(4-bromo-5-fluoro-2-methylphenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171916601
4-[(3,3-difluoropyrrolidine-1-carbonyl)amino]benzoic acid
CID 168655298
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 171854816
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 171854826
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 65437199
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
3,3-difluoro-N-[4-fluoro-3-[6-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 155529650
3,3-difluoro-N-[4-fluoro-3-[6-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]phenyl]pyrrolidine-1-carboxamide
CID 155564993

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide (CID 171854841) is N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide is O=C(Nc1ccc(Br)c(F)c1)N1CCC(F)(F)C1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is NGFDWBVMQOJVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O/c12-8-2-1-7(5-9(8)13)16-10(18)17-4-3-11(14,15)6-17/h1-2,5H,3-4,6H2,(H,16,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide?
N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 323.11 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 171854841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).