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

C13H7Br2ClFNO — CID 105400274

IUPAC(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
SMILESNc1cccc(C(=O)c2cc(Cl)c(Br)cc2F)c1Br
InChIInChI=1S/C13H7Br2ClFNO/c14-8-5-10(17)7(4-9(8)16)13(19)6-2-1-3-11(18)12(6)15/h1-5H,18H2
InChIKeyQNMRMHYOULTWPP-UHFFFAOYSA-N
MW407.46 g/mol
LogP4.82
Rot. Bonds2

About (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone

(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone (PubChem CID 105400274) has the molecular formula C13H7Br2ClFNO and a molecular weight of 407.46 g/mol. Its IUPAC name is (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
PubChem CID105400274
Molecular FormulaC13H7Br2ClFNO
Molecular Weight407.46 g/mol
Exact Mass404.86
IUPAC Name(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
SMILESNc1cccc(C(=O)c2cc(Cl)c(Br)cc2F)c1Br
InChIInChI=1S/C13H7Br2ClFNO/c14-8-5-10(17)7(4-9(8)16)13(19)6-2-1-3-11(18)12(6)15/h1-5H,18H2
InChIKeyQNMRMHYOULTWPP-UHFFFAOYSA-N
XLogP4.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.82
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
(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
(5-amino-2-bromo-4-fluorophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400273
(2-amino-6-methoxyphenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone
CID 105400302
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-4-chlorophenyl)methanone
CID 107987246
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(4-bromo-5-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 105398427
(3-amino-2-chlorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103304702
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 105398296
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The IUPAC name of (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone (CID 105400274) is (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone is Nc1cccc(C(=O)c2cc(Cl)c(Br)cc2F)c1Br.
What is the InChIKey of (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
The InChIKey is QNMRMHYOULTWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClFNO/c14-8-5-10(17)7(4-9(8)16)13(19)6-2-1-3-11(18)12(6)15/h1-5H,18H2.
What are the key properties of (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone?
(3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone has a molecular weight of 407.46 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bromophenyl)-(4-bromo-5-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 105400274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).