(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone

C10H10BrFN2O — CID 65244996

IUPAC(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
SMILESNC1CN(C(=O)c2cc(F)cc(Br)c2)C1
InChIInChI=1S/C10H10BrFN2O/c11-7-1-6(2-8(12)3-7)10(15)14-4-9(13)5-14/h1-3,9H,4-5,13H2
InChIKeyJZZNZRDHYFZHCV-UHFFFAOYSA-N
MW273.10 g/mol
LogP1.37
Rot. Bonds1

About (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone

(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone (PubChem CID 65244996) has the molecular formula C10H10BrFN2O and a molecular weight of 273.10 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
PubChem CID65244996
Molecular FormulaC10H10BrFN2O
Molecular Weight273.10 g/mol
Exact Mass272.00
IUPAC Name(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
SMILESNC1CN(C(=O)c2cc(F)cc(Br)c2)C1
InChIInChI=1S/C10H10BrFN2O/c11-7-1-6(2-8(12)3-7)10(15)14-4-9(13)5-14/h1-3,9H,4-5,13H2
InChIKeyJZZNZRDHYFZHCV-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 62067197
(3-bromo-5-fluorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 63390803
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 55216485
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 120745259
(3-bromo-5-fluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576853
[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
1-(3-bromo-5-fluorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251432
(3-bromo-5-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995836
(3-bromo-5-fluorophenyl)-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
CID 110629427
(3-bromo-5-fluorophenyl)-(2-phenylmorpholin-4-yl)methanone
CID 110629876
2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869208

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone (CID 65244996) is (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone is NC1CN(C(=O)c2cc(F)cc(Br)c2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone?
The InChIKey is JZZNZRDHYFZHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O/c11-7-1-6(2-8(12)3-7)10(15)14-4-9(13)5-14/h1-3,9H,4-5,13H2.
What are the key properties of (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone?
(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone has a molecular weight of 273.10 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone is sourced from PubChem (CID 65244996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).