(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone

C13H6Br2ClF2NO — CID 105400273

IUPAC(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
SMILESNc1cc(C(=O)c2cc(Cl)c(Br)cc2F)c(Br)cc1F
InChIInChI=1S/C13H6Br2ClF2NO/c14-7-3-11(18)12(19)2-5(7)13(20)6-1-9(16)8(15)4-10(6)17/h1-4H,19H2
InChIKeyCILYDNZBSDSMIF-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.96
Rot. Bonds2

About (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone

(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone (PubChem CID 105400273) has the molecular formula C13H6Br2ClF2NO and a molecular weight of 425.45 g/mol. Its IUPAC name is (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
PubChem CID105400273
Molecular FormulaC13H6Br2ClF2NO
Molecular Weight425.45 g/mol
Exact Mass422.85
IUPAC Name(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
SMILESNc1cc(C(=O)c2cc(Cl)c(Br)cc2F)c(Br)cc1F
InChIInChI=1S/C13H6Br2ClF2NO/c14-7-3-11(18)12(19)2-5(7)13(20)6-1-9(16)8(15)4-10(6)17/h1-4H,19H2
InChIKeyCILYDNZBSDSMIF-UHFFFAOYSA-N
XLogP4.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2,4-difluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400298
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400274
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(5-amino-2-bromo-4-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105350302
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(2-amino-6-methylphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400288
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methanone
CID 105398350
(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400302
(5-amino-2-bromo-4-fluorophenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512799
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone (CID 105400273) is (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone is Nc1cc(C(=O)c2cc(Cl)c(Br)cc2F)c(Br)cc1F.
What is the InChIKey of (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The InChIKey is CILYDNZBSDSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClF2NO/c14-7-3-11(18)12(19)2-5(7)13(20)6-1-9(16)8(15)4-10(6)17/h1-4H,19H2.
What are the key properties of (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone has a molecular weight of 425.45 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 105400273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).