(2-amino-5-methylphenyl)-(2-fluorophenyl)methanone

C14H12FNO — CID 39101625

IUPAC(2-amino-5-methylphenyl)-(2-fluorophenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccccc2F)c1
InChIInChI=1S/C14H12FNO/c1-9-6-7-13(16)11(8-9)14(17)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3
InChIKeyRWDJZBZLFCHMLX-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.95
Rot. Bonds2

About (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone

(2-amino-5-methylphenyl)-(2-fluorophenyl)methanone (PubChem CID 39101625) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(2-fluorophenyl)methanone
PubChem CID39101625
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name(2-amino-5-methylphenyl)-(2-fluorophenyl)methanone
SMILESCc1ccc(N)c(C(=O)c2ccccc2F)c1
InChIInChI=1S/C14H12FNO/c1-9-6-7-13(16)11(8-9)14(17)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3
InChIKeyRWDJZBZLFCHMLX-UHFFFAOYSA-N
XLogP2.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.95
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

Nepafenac
CID 151075
2'-Aminoacetophenone
CID 11086
p-Aminopropiophenone
CID 6270
p-Aminoacetophenone
CID 7468
2-Amino-5-chloro-2'-fluorobenzophenone
CID 69912
4-Aminobenzophenone
CID 14346
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
CID 577464
2-Methyl-acridone
CID 419818
Methanone, (3-aminophenyl)phenyl-
CID 17817
1-Butanone, 1-(4-aminophenyl)-
CID 15527
2,6-Bis(trifluoromethyl)quinolin-4(1H)-one
CID 2736155
8-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775089

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone (CID 39101625) is (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone is Cc1ccc(N)c(C(=O)c2ccccc2F)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone?
The InChIKey is RWDJZBZLFCHMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-9-6-7-13(16)11(8-9)14(17)10-4-2-3-5-12(10)15/h2-8H,16H2,1H3.
What are the key properties of (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone?
(2-amino-5-methylphenyl)-(2-fluorophenyl)methanone has a molecular weight of 229.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 39101625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).