(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone

C11H11BrF2N2O — CID 155490138

IUPAC(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(F)(F)C2)c(Br)c1
InChIInChI=1S/C11H11BrF2N2O/c12-9-5-7(15)1-2-8(9)10(17)16-4-3-11(13,14)6-16/h1-2,5H,3-4,6,15H2
InChIKeyUMTLCUDGPGAVER-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.51
Rot. Bonds1

About (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone

(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 155490138) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID155490138
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCC(F)(F)C2)c(Br)c1
InChIInChI=1S/C11H11BrF2N2O/c12-9-5-7(15)1-2-8(9)10(17)16-4-3-11(13,14)6-16/h1-2,5H,3-4,6,15H2
InChIKeyUMTLCUDGPGAVER-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-bromophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 169494840
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
(2-bromo-5-methoxyphenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 172648171
(2-bromo-4-fluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036772
(4-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103354971
(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 138985813
(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155289431
(4-amino-2-methoxyphenyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 172647128
1-(2-bromo-4-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63142723
(3-bromo-4-methylsulfonylphenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 175686516
1-(2-bromo-4-fluorobenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160973
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone (CID 155490138) is (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone is Nc1ccc(C(=O)N2CCC(F)(F)C2)c(Br)c1.
What is the InChIKey of (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is UMTLCUDGPGAVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c12-9-5-7(15)1-2-8(9)10(17)16-4-3-11(13,14)6-16/h1-2,5H,3-4,6,15H2.
What are the key properties of (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 305.12 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 155490138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).