(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone

C13H9ClFNO2 — CID 13192784

IUPAC(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone
SMILESNc1cc(F)cc(C(=O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C13H9ClFNO2/c14-8-3-1-7(2-4-8)12(17)10-5-9(15)6-11(16)13(10)18/h1-6,18H,16H2
InChIKeyFBKGBEZXBICXFP-UHFFFAOYSA-N
MW265.67 g/mol
LogP3.00
Rot. Bonds2

About (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone

(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone (PubChem CID 13192784) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone
PubChem CID13192784
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone
SMILESNc1cc(F)cc(C(=O)c2ccc(Cl)cc2)c1O
InChIInChI=1S/C13H9ClFNO2/c14-8-3-1-7(2-4-8)12(17)10-5-9(15)6-11(16)13(10)18/h1-6,18H,16H2
InChIKeyFBKGBEZXBICXFP-UHFFFAOYSA-N
XLogP3.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-amino-5-fluoro-2-hydroxybenzoyl)benzoate
CID 70556532
sodium 2-[2-amino-3-(4-chlorobenzoyl)-5-fluorophenyl]acetate
CID 23711005
(4-chlorophenyl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 10399889
(3-amino-5-chloro-2-hydroxyphenyl)-(4-methoxyphenyl)methanone;hydrochloride
CID 70554532
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(4-aminophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 95425026
(4-bromo-5-chloro-2-fluorophenyl)-(4-chlorophenyl)methanone
CID 105398339
(2-amino-4-bromophenyl)-(4-chlorophenyl)methanone
CID 15918246
(4-chlorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62964094
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(3-chloro-5-fluoro-4-hydroxyphenyl)-(4-chlorophenyl)methanone
CID 138392315

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone (CID 13192784) is (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone is Nc1cc(F)cc(C(=O)c2ccc(Cl)cc2)c1O.
What is the InChIKey of (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone?
The InChIKey is FBKGBEZXBICXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-8-3-1-7(2-4-8)12(17)10-5-9(15)6-11(16)13(10)18/h1-6,18H,16H2.
What are the key properties of (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone?
(3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone has a molecular weight of 265.67 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-fluoro-2-hydroxyphenyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 13192784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).