(6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone

C13H7BrClF2NO — CID 162346297

IUPAC(6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone
SMILESNc1ccc(Br)c(Cl)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H7BrClF2NO/c14-6-4-5-9(18)11(12(6)15)13(19)10-7(16)2-1-3-8(10)17/h1-5H,18H2
InChIKeyNZYVQGPIKCVKFN-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.19
Rot. Bonds2

About (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone

(6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone (PubChem CID 162346297) has the molecular formula C13H7BrClF2NO and a molecular weight of 346.56 g/mol. Its IUPAC name is (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone
PubChem CID162346297
Molecular FormulaC13H7BrClF2NO
Molecular Weight346.56 g/mol
Exact Mass344.94
IUPAC Name(6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone
SMILESNc1ccc(Br)c(Cl)c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C13H7BrClF2NO/c14-6-4-5-9(18)11(12(6)15)13(19)10-7(16)2-1-3-8(10)17/h1-5H,18H2
InChIKeyNZYVQGPIKCVKFN-UHFFFAOYSA-N
XLogP4.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
2-amino-1-(3-bromo-2-chloro-6-fluorophenyl)ethanone;hydrochloride
CID 122361063
2-amino-6-fluoro-N-hydroxybenzamide
CID 11643995
(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
CID 114561157
(2-amino-5-methylphenyl)-(4-bromo-3-chloro-2-fluorophenyl)methanone
CID 106764014
ethyl 2-(3-bromo-2-chloro-6-fluorophenyl)-2-oxoacetate
CID 117494256
3-amino-2-chloro-6-fluorobenzoic acid
CID 66841192
1-(3-bromo-2-chloro-6-fluorophenyl)-2-(methylamino)ethanone
CID 117450497
(2-chloro-6-fluorophenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338532
N-(4-amino-3-bromophenyl)-2-chloro-3-fluorobenzamide
CID 82862154
N-(3-amino-4-bromophenyl)-2-bromo-6-fluorobenzamide
CID 114558425
(4-amino-2-bromophenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81461861

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone (CID 162346297) is (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone is Nc1ccc(Br)c(Cl)c1C(=O)c1c(F)cccc1F.
What is the InChIKey of (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone?
The InChIKey is NZYVQGPIKCVKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF2NO/c14-6-4-5-9(18)11(12(6)15)13(19)10-7(16)2-1-3-8(10)17/h1-5H,18H2.
What are the key properties of (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone?
(6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone has a molecular weight of 346.56 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-bromo-2-chlorophenyl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 162346297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).