1-(3-amino-4-fluorophenyl)-2-anilinoethanone

C14H13FN2O — CID 82478373

IUPAC1-(3-amino-4-fluorophenyl)-2-anilinoethanone
SMILESNc1cc(C(=O)CNc2ccccc2)ccc1F
InChIInChI=1S/C14H13FN2O/c15-12-7-6-10(8-13(12)16)14(18)9-17-11-4-2-1-3-5-11/h1-8,17H,9,16H2
InChIKeyNHXGBDIXDOKHCI-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-amino-4-fluorophenyl)-2-anilinoethanone

1-(3-amino-4-fluorophenyl)-2-anilinoethanone (PubChem CID 82478373) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-2-anilinoethanone.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-2-anilinoethanone
PubChem CID82478373
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-(3-amino-4-fluorophenyl)-2-anilinoethanone
SMILESNc1cc(C(=O)CNc2ccccc2)ccc1F
InChIInChI=1S/C14H13FN2O/c15-12-7-6-10(8-13(12)16)14(18)9-17-11-4-2-1-3-5-11/h1-8,17H,9,16H2
InChIKeyNHXGBDIXDOKHCI-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-amino-4-fluorophenyl)-2-anilinoethanone 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

2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
1-(3-amino-4-methylphenyl)-2-(3-fluoroanilino)ethanone
CID 82483415
1-(3,4-difluorophenyl)-2-(3-fluoroanilino)ethanone
CID 82122507
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161
1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 98014554
2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
CID 110823607
2-anilino-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 116555381
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
2-anilino-1-(3-bromo-2,6-difluorophenyl)ethanone
CID 106943998
1-(3-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone
CID 96667576
1-(3-amino-4-fluorophenyl)-2-(diethylamino)ethanone
CID 96659527

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-2-anilinoethanone?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-2-anilinoethanone (CID 82478373) is 1-(3-amino-4-fluorophenyl)-2-anilinoethanone.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-2-anilinoethanone?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-2-anilinoethanone is Nc1cc(C(=O)CNc2ccccc2)ccc1F.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-2-anilinoethanone?
The InChIKey is NHXGBDIXDOKHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-12-7-6-10(8-13(12)16)14(18)9-17-11-4-2-1-3-5-11/h1-8,17H,9,16H2.
What are the key properties of 1-(3-amino-4-fluorophenyl)-2-anilinoethanone?
1-(3-amino-4-fluorophenyl)-2-anilinoethanone has a molecular weight of 244.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-2-anilinoethanone is sourced from PubChem (CID 82478373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).