N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

C12H12BrF3N2O — CID 65490023

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C12H12BrF3N2O/c13-8-4-7(12(14,15)16)5-9(6-8)18-11(19)10-2-1-3-17-10/h4-6,10,17H,1-3H2,(H,18,19)
InChIKeyOHJNTKXRUHVSII-UHFFFAOYSA-N
MW337.14 g/mol
LogP3.16
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 65490023) has the molecular formula C12H12BrF3N2O and a molecular weight of 337.14 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID65490023
Molecular FormulaC12H12BrF3N2O
Molecular Weight337.14 g/mol
Exact Mass336.01
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(Br)cc(C(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C12H12BrF3N2O/c13-8-4-7(12(14,15)16)5-9(6-8)18-11(19)10-2-1-3-17-10/h4-6,10,17H,1-3H2,(H,18,19)
InChIKeyOHJNTKXRUHVSII-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106740207
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 119301878
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
(2S)-N-(3-bromophenyl)pyrrolidine-2-carboxamide
CID 22691460
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
(2R)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 104913181
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
N-(4-bromo-2,6-dichlorophenyl)pyrrolidine-2-carboxamide
CID 43126702

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide (CID 65490023) is N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cc(Br)cc(C(F)(F)F)c1)C1CCCN1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is OHJNTKXRUHVSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O/c13-8-4-7(12(14,15)16)5-9(6-8)18-11(19)10-2-1-3-17-10/h4-6,10,17H,1-3H2,(H,18,19).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 337.14 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 65490023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).