(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

C15H14FN3O — CID 103493819

IUPAC(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3ccc(F)cc32)c(N)c1
InChIInChI=1S/C15H14FN3O/c16-10-2-1-9-5-6-19(14(9)7-10)15(20)12-4-3-11(17)8-13(12)18/h1-4,7-8H,5-6,17-18H2
InChIKeyYNQJYOGCWJTFDY-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.19
Rot. Bonds1

About (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone

(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (PubChem CID 103493819) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
PubChem CID103493819
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
SMILESNc1ccc(C(=O)N2CCc3ccc(F)cc32)c(N)c1
InChIInChI=1S/C15H14FN3O/c16-10-2-1-9-5-6-19(14(9)7-10)15(20)12-4-3-11(17)8-13(12)18/h1-4,7-8H,5-6,17-18H2
InChIKeyYNQJYOGCWJTFDY-UHFFFAOYSA-N
XLogP2.19
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)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

(3-amino-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502191
(4-amino-2-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103502157
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
(4-amino-3-fluorophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493821
(4-amino-1H-pyrazol-5-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493823
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 83209700
(3-amino-5-fluoro-4-methylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103493768
(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 107037112
(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107959291
(4-chloro-3-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103872831
[4-(2-aminoethyl)phenyl]-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103495293
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone (CID 103493819) is (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is Nc1ccc(C(=O)N2CCc3ccc(F)cc32)c(N)c1.
What is the InChIKey of (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
The InChIKey is YNQJYOGCWJTFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c16-10-2-1-9-5-6-19(14(9)7-10)15(20)12-4-3-11(17)8-13(12)18/h1-4,7-8H,5-6,17-18H2.
What are the key properties of (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone?
(2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone has a molecular weight of 271.30 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 103493819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).