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

C13H9ClFNO — CID 90087855

IUPAC(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
SMILESNc1c(F)cccc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClFNO/c14-9-4-1-3-8(7-9)13(17)10-5-2-6-11(15)12(10)16/h1-7H,16H2
InChIKeyZIYDVYYOLNNXQF-UHFFFAOYSA-N
MW249.67 g/mol
LogP3.29
Rot. Bonds2

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

(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone (PubChem CID 90087855) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
PubChem CID90087855
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
SMILESNc1c(F)cccc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H9ClFNO/c14-9-4-1-3-8(7-9)13(17)10-5-2-6-11(15)12(10)16/h1-7H,16H2
InChIKeyZIYDVYYOLNNXQF-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 53.29
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

(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
(2-amino-3-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 116597765
(2-amino-3-fluorophenyl)-pyrimidin-5-ylmethanone
CID 116597591
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(3-chlorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82792283
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(2-amino-3-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 116597564
(3-chlorophenyl)-(2-fluoro-4-nitrophenyl)methanone
CID 11818322

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone (CID 90087855) is (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone is Nc1c(F)cccc1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone?
The InChIKey is ZIYDVYYOLNNXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO/c14-9-4-1-3-8(7-9)13(17)10-5-2-6-11(15)12(10)16/h1-7H,16H2.
What are the key properties of (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone?
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone has a molecular weight of 249.67 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 90087855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).