[2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone

C14H12FNO2 — CID 118328334

IUPAC[2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)ccc(CO)c1F
InChIInChI=1S/C14H12FNO2/c15-12-10(8-17)6-7-11(13(12)16)14(18)9-4-2-1-3-5-9/h1-7,17H,8,16H2
InChIKeyOEJSGKFDDQVFBF-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.13
Rot. Bonds3

About [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone

[2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone (PubChem CID 118328334) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone
PubChem CID118328334
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name[2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)ccc(CO)c1F
InChIInChI=1S/C14H12FNO2/c15-12-10(8-17)6-7-11(13(12)16)14(18)9-4-2-1-3-5-9/h1-7,17H,8,16H2
InChIKeyOEJSGKFDDQVFBF-UHFFFAOYSA-N
XLogP2.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone?
The IUPAC name of [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone (CID 118328334) is [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone is Nc1c(C(=O)c2ccccc2)ccc(CO)c1F.
What is the InChIKey of [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone?
The InChIKey is OEJSGKFDDQVFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-10(8-17)6-7-11(13(12)16)14(18)9-4-2-1-3-5-9/h1-7,17H,8,16H2.
What are the key properties of [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone?
[2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone has a molecular weight of 245.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-fluoro-4-(hydroxymethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 118328334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).