(2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone

C15H13F2NO — CID 10083997

IUPAC(2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone
SMILESCCc1ccc(N)c(C(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2NO/c1-2-9-3-6-14(18)12(7-9)15(19)11-5-4-10(16)8-13(11)17/h3-8H,2,18H2,1H3
InChIKeyWJJHZWMNHSRWKX-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.34
Rot. Bonds3

About (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone

(2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone (PubChem CID 10083997) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone
PubChem CID10083997
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name(2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone
SMILESCCc1ccc(N)c(C(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C15H13F2NO/c1-2-9-3-6-14(18)12(7-9)15(19)11-5-4-10(16)8-13(11)17/h3-8H,2,18H2,1H3
InChIKeyWJJHZWMNHSRWKX-UHFFFAOYSA-N
XLogP3.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.34
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'}

Analyze (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nepafenac
CID 151075
2'-Aminoacetophenone
CID 11086
4-Aminobenzophenone
CID 14346
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
CID 577464
Methanone, (3-aminophenyl)phenyl-
CID 17817
2,6-Bis(trifluoromethyl)quinolin-4(1H)-one
CID 2736155
8-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775089
2-Aminobenzophenone
CID 76080
6-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775088
6-Fluoro-2-methylquinolin-4-ol
CID 85184
8-Fluoro-2-methylquinolin-4-ol
CID 15395998
4-Hydroxy-6-methyl-2-phenylquinoline
CID 730810

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone (CID 10083997) is (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone is CCc1ccc(N)c(C(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone?
The InChIKey is WJJHZWMNHSRWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-2-9-3-6-14(18)12(7-9)15(19)11-5-4-10(16)8-13(11)17/h3-8H,2,18H2,1H3.
What are the key properties of (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone?
(2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone has a molecular weight of 261.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-ethylphenyl)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 10083997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).