[1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone

C16H13BrFNO — CID 106647286

IUPAC[1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone
SMILESNc1ccc(C2(C(=O)c3cccc(Br)c3F)CC2)cc1
InChIInChI=1S/C16H13BrFNO/c17-13-3-1-2-12(14(13)18)15(20)16(8-9-16)10-4-6-11(19)7-5-10/h1-7H,8-9,19H2
InChIKeyZVILMXXPAHVYGC-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.08
Rot. Bonds3

About [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone

[1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone (PubChem CID 106647286) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone
PubChem CID106647286
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name[1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone
SMILESNc1ccc(C2(C(=O)c3cccc(Br)c3F)CC2)cc1
InChIInChI=1S/C16H13BrFNO/c17-13-3-1-2-12(14(13)18)15(20)16(8-9-16)10-4-6-11(19)7-5-10/h1-7H,8-9,19H2
InChIKeyZVILMXXPAHVYGC-UHFFFAOYSA-N
XLogP4.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.08
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

(3-bromo-2-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829761
[1-(4-aminophenyl)cyclopropyl]-(4-fluoro-2-methylphenyl)methanone
CID 116611830
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanone
CID 63990466
N-(5-amino-2-pyridinyl)-3-bromo-2-fluorobenzamide
CID 107948735
2-(1-aminocyclopentyl)-1-(3-bromo-2-fluorophenyl)ethanone
CID 106647185
(3-bromo-2-fluorophenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106647512
(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
CID 106647263
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
CID 114020550
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
3-amino-1-(3-bromo-2-fluorophenyl)propan-1-one
CID 106647099
2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one
CID 106647121
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone?
The IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone (CID 106647286) is [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone?
The canonical SMILES for [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone is Nc1ccc(C2(C(=O)c3cccc(Br)c3F)CC2)cc1.
What is the InChIKey of [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone?
The InChIKey is ZVILMXXPAHVYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-13-3-1-2-12(14(13)18)15(20)16(8-9-16)10-4-6-11(19)7-5-10/h1-7H,8-9,19H2.
What are the key properties of [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone?
[1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone has a molecular weight of 334.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)cyclopropyl]-(3-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 106647286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).