(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone

C15H14FNO — CID 113417691

IUPAC(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C15H14FNO/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h3-9H,2,17H2,1H3
InChIKeyFYGXEUAOPHPZSX-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.20
Rot. Bonds3

About (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone

(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone (PubChem CID 113417691) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
PubChem CID113417691
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2ccc(F)cc2N)cc1
InChIInChI=1S/C15H14FNO/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h3-9H,2,17H2,1H3
InChIKeyFYGXEUAOPHPZSX-UHFFFAOYSA-N
XLogP3.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.20
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

(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone
CID 18779868
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
(4-ethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43160562
(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 113417701
(2-amino-4-fluorophenyl)-(3-hydroxyphenyl)methanone
CID 105489015
1-(2-amino-4-fluorophenyl)-2-methylbutan-1-one
CID 66999008
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
(4-aminophenyl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 95425026

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone?
The IUPAC name of (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone (CID 113417691) is (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone?
The canonical SMILES for (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2ccc(F)cc2N)cc1.
What is the InChIKey of (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone?
The InChIKey is FYGXEUAOPHPZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-2-10-3-5-11(6-4-10)15(18)13-8-7-12(16)9-14(13)17/h3-9H,2,17H2,1H3.
What are the key properties of (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone?
(2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone has a molecular weight of 243.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 113417691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).