(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone

C13H8BrClFNO — CID 114020550

IUPAC(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2cccc(Br)c2F)c(Cl)c1
InChIInChI=1S/C13H8BrClFNO/c14-10-3-1-2-9(12(10)16)13(18)8-5-4-7(17)6-11(8)15/h1-6H,17H2
InChIKeyYEUICMNTAKQISZ-UHFFFAOYSA-N
MW328.57 g/mol
LogP4.05
Rot. Bonds2

About (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone

(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone (PubChem CID 114020550) has the molecular formula C13H8BrClFNO and a molecular weight of 328.57 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
PubChem CID114020550
Molecular FormulaC13H8BrClFNO
Molecular Weight328.57 g/mol
Exact Mass326.95
IUPAC Name(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone
SMILESNc1ccc(C(=O)c2cccc(Br)c2F)c(Cl)c1
InChIInChI=1S/C13H8BrClFNO/c14-10-3-1-2-9(12(10)16)13(18)8-5-4-7(17)6-11(8)15/h1-6H,17H2
InChIKeyYEUICMNTAKQISZ-UHFFFAOYSA-N
XLogP4.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.57
LogP ≤ 54.05
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

(4-amino-2-chlorophenyl)-(2-bromo-6-fluorophenyl)methanone
CID 114561157
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(3-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanone
CID 106647466
(3-bromo-2-fluorophenyl)-(3-chloro-4-pyridinyl)methanone
CID 106647496
(4-amino-2-bromophenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81461861
(3-chloro-2-fluorophenyl)-(2,4-dichlorophenyl)methanone
CID 81265376
(3-bromo-2-fluorophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 107950079
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
(5-amino-2-pyridinyl)-(3-bromo-2-fluorophenyl)methanone
CID 106647263
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone (CID 114020550) is (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone is Nc1ccc(C(=O)c2cccc(Br)c2F)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone?
The InChIKey is YEUICMNTAKQISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFNO/c14-10-3-1-2-9(12(10)16)13(18)8-5-4-7(17)6-11(8)15/h1-6H,17H2.
What are the key properties of (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone?
(4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone has a molecular weight of 328.57 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(3-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 114020550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).